5-cyclopropyl-N'-[1-(3-nitrophenyl)ethenyl]-1H-pyrazole-3-carbohydrazide

Formula:C15H15N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-cyclopropyl-N'-[1-(3-nitrophenyl)ethenyl]-1H-pyrazole-3-carbohydrazide is a drug-like molecule.

MolName5-cyclopropyl-N'-[1-(3-nitrophenyl)ethenyl]-1H-pyrazole-3-carbohydrazide
MolecularFormulaC15H15N5O3
SmilesC=C(c1cccc([N+]([O-])=O)c1)NNC(c1n[nH]c(C2CC2)c1)=O
InChIInChI=1S/C15H15N5O3/c1-9(11-3-2-4-12(7-11)20(22)23)16-19-15(21)14-8-13(17-18-14)10-5-6-10/h2-4,7-8,10,16H,1,5-6H2,(H,17,18)(H,19,21)
InChIKKVMKEPVXOXDTQR-UHFFFAOYSA-N
TotalMolweight313.316
Molweight313.316
MonoisotopicMass313.11749
CLogP0.3211
CLogS-3.673
H Acceptors8
H Donors3
TotalSurfaceArea234.96
Relative PSA0.38875
PolarSurfaceArea115.63
Druglikeness-2.751
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.6087
Fragments1
Non HAtoms23
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms5
Symmetricatoms1
Aromatic Nitrogens2
AcidicOxygens1
StereoCon

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