1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide

C25H20N6O — CID 55969423

IUPAC1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H20N6O/c32-25(28-21-11-9-19(10-12-21)17-30-15-5-14-27-30)23-18-31(22-7-2-1-3-8-22)29-24(23)20-6-4-13-26-16-20/h1-16,18H,17H2,(H,28,32)
InChIKeyQWIVVNGQXGSLCP-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.43
Rot. Bonds6

About 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide

1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 55969423) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID55969423
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H20N6O/c32-25(28-21-11-9-19(10-12-21)17-30-15-5-14-27-30)23-18-31(22-7-2-1-3-8-22)29-24(23)20-6-4-13-26-16-20/h1-16,18H,17H2,(H,28,32)
InChIKeyQWIVVNGQXGSLCP-UHFFFAOYSA-N
XLogP4.43
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55877892
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide (CID 55969423) is 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(Nc1ccc(Cn2cccn2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is QWIVVNGQXGSLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c32-25(28-21-11-9-19(10-12-21)17-30-15-5-14-27-30)23-18-31(22-7-2-1-3-8-22)29-24(23)20-6-4-13-26-16-20/h1-16,18H,17H2,(H,28,32).
What are the key properties of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55969423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).