N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide

C15H12FN5O — CID 56724484

IUPACN-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2F)cc(-n2cccn2)n1
InChIInChI=1S/C15H12FN5O/c1-10-18-13(9-14(19-10)21-8-4-7-17-21)15(22)20-12-6-3-2-5-11(12)16/h2-9H,1H3,(H,20,22)
InChIKeyXRJRSTQHWQGHHR-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.36
Rot. Bonds3

About N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide

N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide (PubChem CID 56724484) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
PubChem CID56724484
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2F)cc(-n2cccn2)n1
InChIInChI=1S/C15H12FN5O/c1-10-18-13(9-14(19-10)21-8-4-7-17-21)15(22)20-12-6-3-2-5-11(12)16/h2-9H,1H3,(H,20,22)
InChIKeyXRJRSTQHWQGHHR-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
(2S)-2-(2-fluorophenoxy)-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122290489
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide (CID 56724484) is N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2F)cc(-n2cccn2)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is XRJRSTQHWQGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c1-10-18-13(9-14(19-10)21-8-4-7-17-21)15(22)20-12-6-3-2-5-11(12)16/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide?
N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 56724484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).