1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide

C18H16N4O2 — CID 46450468

IUPAC1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c23-17(13-14-7-3-1-4-8-14)19-20-18(24)16-11-12-22(21-16)15-9-5-2-6-10-15/h1-12H,13H2,(H,19,23)(H,20,24)
InChIKeyPTZMDJQRRRDJBO-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.88
Rot. Bonds4

About 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide

1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide (PubChem CID 46450468) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
PubChem CID46450468
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c23-17(13-14-7-3-1-4-8-14)19-20-18(24)16-11-12-22(21-16)15-9-5-2-6-10-15/h1-12H,13H2,(H,19,23)(H,20,24)
InChIKeyPTZMDJQRRRDJBO-UHFFFAOYSA-N
XLogP1.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
2-(4-bromophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105078940
2-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105078013
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651159
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone
CID 105091060
N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 119525053
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide (CID 46450468) is 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide is O=C(Cc1ccccc1)NNC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide?
The InChIKey is PTZMDJQRRRDJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17(13-14-7-3-1-4-8-14)19-20-18(24)16-11-12-22(21-16)15-9-5-2-6-10-15/h1-12H,13H2,(H,19,23)(H,20,24).
What are the key properties of 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide?
1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide has a molecular weight of 320.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 46450468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).