N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide

C22H16ClN5O — CID 9015279

IUPACN-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C22H16ClN5O/c23-19-6-4-5-17(13-19)21-18(15-28(27-21)20-7-2-1-3-8-20)14-25-26-22(29)16-9-11-24-12-10-16/h1-15H,(H,26,29)/b25-14-
InChIKeyUKRSGVNEGREROF-QFEZKATASA-N
MW401.86 g/mol
LogP4.35
Rot. Bonds5

About N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 9015279) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID9015279
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC NameN-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C22H16ClN5O/c23-19-6-4-5-17(13-19)21-18(15-28(27-21)20-7-2-1-3-8-20)14-25-26-22(29)16-9-11-24-12-10-16/h1-15H,(H,26,29)/b25-14-
InChIKeyUKRSGVNEGREROF-QFEZKATASA-N
XLogP4.35
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-amino-N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071101
N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 2369310
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
CID 1051210
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2127687
4-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071102
2-(3-chlorophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 1043473
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide (CID 9015279) is N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccncc1.
What is the InChIKey of N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is UKRSGVNEGREROF-QFEZKATASA-N. The full InChI is InChI=1S/C22H16ClN5O/c23-19-6-4-5-17(13-19)21-18(15-28(27-21)20-7-2-1-3-8-20)14-25-26-22(29)16-9-11-24-12-10-16/h1-15H,(H,26,29)/b25-14-.
What are the key properties of N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 401.86 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 9015279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).