3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

C15H13N5O — CID 135519161

IUPAC3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H13N5O/c21-15(20-17-10-12-7-4-8-16-12)14-9-13(18-19-14)11-5-2-1-3-6-11/h1-10,16H,(H,18,19)(H,20,21)/b17-10+
InChIKeyONKWUXVPJOJTIV-LICLKQGHSA-N
MW279.30 g/mol
LogP2.17
Rot. Bonds4

About 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 135519161) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID135519161
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H13N5O/c21-15(20-17-10-12-7-4-8-16-12)14-9-13(18-19-14)11-5-2-1-3-6-11/h1-10,16H,(H,18,19)(H,20,21)/b17-10+
InChIKeyONKWUXVPJOJTIV-LICLKQGHSA-N
XLogP2.17
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide 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

N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 2048561
N-[(E)-(2-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6897161
3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 869972
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
N-[(2,4-dimethylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 58755391
N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 4095176
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869873
3-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891442
3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1128550
N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869850

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 135519161) is 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccc[nH]1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is ONKWUXVPJOJTIV-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13N5O/c21-15(20-17-10-12-7-4-8-16-12)14-9-13(18-19-14)11-5-2-1-3-6-11/h1-10,16H,(H,18,19)(H,20,21)/b17-10+.
What are the key properties of 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135519161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).