1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide

C23H19F3N6O2 — CID 45167155

IUPAC1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)NC(c3cccnc3)C(F)(F)F)c2C)n1
InChIInChI=1S/C23H19F3N6O2/c1-14-17(21(33)31-20(23(24,25)26)15-6-5-10-27-12-15)13-29-32(14)22-28-11-9-18(30-22)16-7-3-4-8-19(16)34-2/h3-13,20H,1-2H3,(H,31,33)
InChIKeyVEZKLVZQCSKYIH-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.07
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide

1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 45167155) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID45167155
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)NC(c3cccnc3)C(F)(F)F)c2C)n1
InChIInChI=1S/C23H19F3N6O2/c1-14-17(21(33)31-20(23(24,25)26)15-6-5-10-27-12-15)13-29-32(14)22-28-11-9-18(30-22)16-7-3-4-8-19(16)34-2/h3-13,20H,1-2H3,(H,31,33)
InChIKeyVEZKLVZQCSKYIH-UHFFFAOYSA-N
XLogP4.07
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137348687
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497218
7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975142
7-(Difluoromethyl)-5-(4-methoxyphenyl)-3-(4-thiomorpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 1259788
7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4197086
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 74
CID 44520963
4-(azetidine-1-carbonyl)-N-[2-[2-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414866
4-N-cyclopropyl-5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414917
4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
CID 165414945
4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414948
5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 45167155) is 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide is COc1ccccc1-c1ccnc(-n2ncc(C(=O)NC(c3cccnc3)C(F)(F)F)c2C)n1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is VEZKLVZQCSKYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-14-17(21(33)31-20(23(24,25)26)15-6-5-10-27-12-15)13-29-32(14)22-28-11-9-18(30-22)16-7-3-4-8-19(16)34-2/h3-13,20H,1-2H3,(H,31,33).
What are the key properties of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45167155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).