N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide

C21H17N5O — CID 53067847

IUPACN-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)nc1
InChIInChI=1S/C21H17N5O/c1-15-7-8-20(23-14-15)24-21(27)18-13-19(16-9-11-22-12-10-16)26(25-18)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,24,27)
InChIKeyINJCLFWWQRAAEW-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.89
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide

N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 53067847) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID53067847
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)nc1
InChIInChI=1S/C21H17N5O/c1-15-7-8-20(23-14-15)24-21(27)18-13-19(16-9-11-22-12-10-16)26(25-18)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,24,27)
InChIKeyINJCLFWWQRAAEW-UHFFFAOYSA-N
XLogP3.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265
N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067674
1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide
CID 11632212
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 138377449
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide
CID 23992415
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide (CID 53067847) is N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is INJCLFWWQRAAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-15-7-8-20(23-14-15)24-21(27)18-13-19(16-9-11-22-12-10-16)26(25-18)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,24,27).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide?
N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).