Mrv1652304272018202D          

  9  9  0  0  0  0            999 V2000
    1.5268    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187    1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9313    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005437

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=NN=C(C)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C7H12N2/c1-5-7(3,4)6(2)9-8-5/h1-4H3

> <INCHI_KEY>
AIHABYFCZQBWLH-UHFFFAOYSA-N

> <FORMULA>
C7H12N2

> <MOLECULAR_WEIGHT>
124.187

> <EXACT_MASS>
124.100048394

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
14.300319903119217

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetramethyl-4H-pyrazole

> <ALOGPS_LOGP>
2.04

> <JCHEM_LOGP>
1.4958963433333332

> <ALOGPS_LOGS>
-2.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7258968104799388

> <JCHEM_POLAR_SURFACE_AREA>
24.72

> <JCHEM_REFRACTIVITY>
37.679700000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetramethylpyrazole

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005437

> <GENERIC_NAME>
Pyrazole, 3,4,4,5-tetramethyl-

$$$$