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

C20H16N6O — CID 157013310

IUPAC1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1nccc(-c2ccccn2)n1
InChIInChI=1S/C20H16N6O/c1-26-18(13-17(25-26)14-7-3-2-4-8-14)19(27)24-20-22-12-10-16(23-20)15-9-5-6-11-21-15/h2-13H,1H3,(H,22,23,24,27)
InChIKeyUDYQHYJTTHURLO-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.19
Rot. Bonds4

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

1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide (PubChem CID 157013310) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide
PubChem CID157013310
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1nccc(-c2ccccn2)n1
InChIInChI=1S/C20H16N6O/c1-26-18(13-17(25-26)14-7-3-2-4-8-14)19(27)24-20-22-12-10-16(23-20)15-9-5-6-11-21-15/h2-13H,1H3,(H,22,23,24,27)
InChIKeyUDYQHYJTTHURLO-UHFFFAOYSA-N
XLogP3.19
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide
CID 157015226
1-methyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
CID 71703539
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122318478
1-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122315086
N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 118947290
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122357159
3-[2-(3,5-difluoroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 163218205
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821
4-bromo-N-[4-methyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 69234694

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide (CID 157013310) is 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1nccc(-c2ccccn2)n1.
What is the InChIKey of 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide?
The InChIKey is UDYQHYJTTHURLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-26-18(13-17(25-26)14-7-3-2-4-8-14)19(27)24-20-22-12-10-16(23-20)15-9-5-6-11-21-15/h2-13H,1H3,(H,22,23,24,27).
What are the key properties of 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 157013310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).