Mrv1652304272018222D 7 7 0 0 0 0 999 V2000 -0.0802 -2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -1.4521 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 0.2169 0.6674 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 -0.5678 0.4125 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 2 1 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 M END > <DATABASE_ID> CDB005458 > <DATABASE_NAME> CDB > <SMILES> CCC1=NNC=C1 > <INCHI_IDENTIFIER> InChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7) > <INCHI_KEY> CBNLNXLAIMQSTR-UHFFFAOYSA-N > <FORMULA> C5H8N2 > <MOLECULAR_WEIGHT> 96.133 > <EXACT_MASS> 96.068748266 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 15 > <JCHEM_AVERAGE_POLARIZABILITY> 10.610204630115518 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 3-ethyl-1H-pyrazole > <ALOGPS_LOGP> 1.37 > <JCHEM_LOGP> 1.1093358239999995 > <ALOGPS_LOGS> 0.59 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 15.250099967704156 > <JCHEM_PKA_STRONGEST_BASIC> 3.4671455306062278 > <JCHEM_POLAR_SURFACE_AREA> 28.68 > <JCHEM_REFRACTIVITY> 28.963800000000003 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 3.76e+02 g/l > <JCHEM_TRADITIONAL_IUPAC> 3-ethyl-1H-pyrazole > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005458 > <GENERIC_NAME> 5-ethylpyrazole $$$$