3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide

C17H14ClN5O — CID 686577

IUPAC3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccncc1
InChIInChI=1S/C17H14ClN5O/c1-11(12-6-8-19-9-7-12)20-23-17(24)16-10-15(21-22-16)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyHYWLDILXLDVAGM-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.28
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 686577) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID686577
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccncc1
InChIInChI=1S/C17H14ClN5O/c1-11(12-6-8-19-9-7-12)20-23-17(24)16-10-15(21-22-16)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyHYWLDILXLDVAGM-UHFFFAOYSA-N
XLogP3.28
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.28
H-Bond Donors ≤ 52
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'}

Analyze 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-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

3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4198779
3-(2-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547180
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 6083366
3-(4-ethylphenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686598
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547232
3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1128655
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
3-(2-chlorophenyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6862681
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide (CID 686577) is 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide is CC(=NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccncc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is HYWLDILXLDVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-11(12-6-8-19-9-7-12)20-23-17(24)16-10-15(21-22-16)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 686577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).