N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C17H14N4O3 — CID 27698464

IUPACN'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N4O3/c22-15-9-5-4-8-12(15)16(23)20-21-17(24)14-10-13(18-19-14)11-6-2-1-3-7-11/h1-10,22H,(H,18,19)(H,20,23)(H,21,24)
InChIKeyXVGRXAOJXNFGAU-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.86
Rot. Bonds3

About N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 27698464) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID27698464
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H14N4O3/c22-15-9-5-4-8-12(15)16(23)20-21-17(24)14-10-13(18-19-14)11-6-2-1-3-7-11/h1-10,22H,(H,18,19)(H,20,23)(H,21,24)
InChIKeyXVGRXAOJXNFGAU-UHFFFAOYSA-N
XLogP1.86
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
N'-(2,5-dimethylthiophene-3-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 17486234
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823823
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N-(3-hydroxy-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 18109569
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27689112
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 27698464) is N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1ccccc1O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is XVGRXAOJXNFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-15-9-5-4-8-12(15)16(23)20-21-17(24)14-10-13(18-19-14)11-6-2-1-3-7-11/h1-10,22H,(H,18,19)(H,20,23)(H,21,24).
What are the key properties of N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 322.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 27698464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).