1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C21H17N5O — CID 53006265

IUPAC1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccncc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H17N5O/c27-21(24-15-17-6-4-5-11-23-17)19-14-20(16-9-12-22-13-10-16)26(25-19)18-7-2-1-3-8-18/h1-14H,15H2,(H,24,27)
InChIKeyNTCJYLUXAGPUEO-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.26
Rot. Bonds5

About 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 53006265) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID53006265
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccncc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H17N5O/c27-21(24-15-17-6-4-5-11-23-17)19-14-20(16-9-12-22-13-10-16)26(25-19)18-7-2-1-3-8-18/h1-14H,15H2,(H,24,27)
InChIKeyNTCJYLUXAGPUEO-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53067847
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 46104880
5-cyclopropyl-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 110372664
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42754740
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 118215004

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 53006265) is 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccncc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is NTCJYLUXAGPUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(24-15-17-6-4-5-11-23-17)19-14-20(16-9-12-22-13-10-16)26(25-19)18-7-2-1-3-8-18/h1-14H,15H2,(H,24,27).
What are the key properties of 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 53006265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).