2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid

C18H14N4O3 — CID 2048561

IUPAC2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(NN=Cc1ccccc1C(=O)O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N4O3/c23-17(16-10-15(20-21-16)12-6-2-1-3-7-12)22-19-11-13-8-4-5-9-14(13)18(24)25/h1-11H,(H,20,21)(H,22,23)(H,24,25)
InChIKeyRZRCJJMGFWJJQK-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.54
Rot. Bonds5

About 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid

2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 2048561) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
PubChem CID2048561
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(NN=Cc1ccccc1C(=O)O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N4O3/c23-17(16-10-15(20-21-16)12-6-2-1-3-7-12)22-19-11-13-8-4-5-9-14(13)18(24)25/h1-11H,(H,20,21)(H,22,23)(H,24,25)
InChIKeyRZRCJJMGFWJJQK-UHFFFAOYSA-N
XLogP2.54
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6897161
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4563206
N-[(2,4-dimethylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 58755391
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869653
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869873
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
2-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6890868
3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135519161
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135851245
3-(4-chlorophenyl)-N-[(2-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3595783
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid (CID 2048561) is 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid is O=C(NN=Cc1ccccc1C(=O)O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is RZRCJJMGFWJJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-17(16-10-15(20-21-16)12-6-2-1-3-7-12)22-19-11-13-8-4-5-9-14(13)18(24)25/h1-11H,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid?
2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 334.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 2048561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).