N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C23H18F3N5O — CID 118392493

IUPACN-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H18F3N5O/c1-14-27-13-20(21(28-14)15-6-4-3-5-7-15)29-22(32)16-8-9-18(23(24,25)26)17(12-16)19-10-11-31(2)30-19/h3-13H,1-2H3,(H,29,32)
InChIKeyLHOVOLILNTYHPF-UHFFFAOYSA-N
MW437.43 g/mol
LogP5.12
Rot. Bonds4

About N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392493) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392493
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC NameN-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H18F3N5O/c1-14-27-13-20(21(28-14)15-6-4-3-5-7-15)29-22(32)16-8-9-18(23(24,25)26)17(12-16)19-10-11-31(2)30-19/h3-13H,1-2H3,(H,29,32)
InChIKeyLHOVOLILNTYHPF-UHFFFAOYSA-N
XLogP5.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392493) is N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c(-c2ccccc2)n1.
What is the InChIKey of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is LHOVOLILNTYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O/c1-14-27-13-20(21(28-14)15-6-4-3-5-7-15)29-22(32)16-8-9-18(23(24,25)26)17(12-16)19-10-11-31(2)30-19/h3-13H,1-2H3,(H,29,32).
What are the key properties of N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 437.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).