1-benzyl-5-phenylpyrazole-3-carbohydrazide

C17H16N4O — CID 91871673

IUPAC1-benzyl-5-phenylpyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H16N4O/c18-19-17(22)15-11-16(14-9-5-2-6-10-14)21(20-15)12-13-7-3-1-4-8-13/h1-11H,12,18H2,(H,19,22)
InChIKeySOCINNLBTCODGV-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.20
Rot. Bonds4

About 1-benzyl-5-phenylpyrazole-3-carbohydrazide

1-benzyl-5-phenylpyrazole-3-carbohydrazide (PubChem CID 91871673) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-benzyl-5-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-5-phenylpyrazole-3-carbohydrazide
PubChem CID91871673
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-benzyl-5-phenylpyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H16N4O/c18-19-17(22)15-11-16(14-9-5-2-6-10-14)21(20-15)12-13-7-3-1-4-8-13/h1-11H,12,18H2,(H,19,22)
InChIKeySOCINNLBTCODGV-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
3-[(1-benzyl-5-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71269586
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
CID 91871685
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
CID 91872759
methyl 1-benzyl-5-(1-benzylindol-3-yl)pyrazole-3-carboxylate
CID 141254418
N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-1-[(3-methylphenyl)methyl]-5-phenylpyrazole-3-carboxamide
CID 175866200
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 1-benzyl-5-phenylpyrazole-3-carbohydrazide (CID 91871673) is 1-benzyl-5-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-5-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-benzyl-5-phenylpyrazole-3-carbohydrazide is NNC(=O)c1cc(-c2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-phenylpyrazole-3-carbohydrazide?
The InChIKey is SOCINNLBTCODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-19-17(22)15-11-16(14-9-5-2-6-10-14)21(20-15)12-13-7-3-1-4-8-13/h1-11H,12,18H2,(H,19,22).
What are the key properties of 1-benzyl-5-phenylpyrazole-3-carbohydrazide?
1-benzyl-5-phenylpyrazole-3-carbohydrazide has a molecular weight of 292.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 91871673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).