1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide

C30H22N8O — CID 2319199

IUPAC1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C30H22N8O/c39-30(27-21-38(26-13-5-2-6-14-26)36-29(27)23-10-8-16-32-18-23)34-33-19-24-20-37(25-11-3-1-4-12-25)35-28(24)22-9-7-15-31-17-22/h1-21H,(H,34,39)
InChIKeyXGIYFKXGHXKARZ-UHFFFAOYSA-N
MW510.56 g/mol
LogP4.95
Rot. Bonds7

About 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide

1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 2319199) has the molecular formula C30H22N8O and a molecular weight of 510.56 g/mol. Its IUPAC name is 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID2319199
Molecular FormulaC30H22N8O
Molecular Weight510.56 g/mol
Exact Mass510.19
IUPAC Name1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C30H22N8O/c39-30(27-21-38(26-13-5-2-6-14-26)36-29(27)23-10-8-16-32-18-23)34-33-19-24-20-37(25-11-3-1-4-12-25)35-28(24)22-9-7-15-31-17-22/h1-21H,(H,34,39)
InChIKeyXGIYFKXGHXKARZ-UHFFFAOYSA-N
XLogP4.95
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-(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
2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide
CID 46662601
1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide
CID 6087292
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
1-butyl-3-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
CID 7933820
N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 6900134
1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide
CID 7929589
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide (CID 2319199) is 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is XGIYFKXGHXKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N8O/c39-30(27-21-38(26-13-5-2-6-14-26)36-29(27)23-10-8-16-32-18-23)34-33-19-24-20-37(25-11-3-1-4-12-25)35-28(24)22-9-7-15-31-17-22/h1-21H,(H,34,39).
What are the key properties of 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide?
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2319199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).