2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C24H19ClF3N5O — CID 129064988

IUPAC2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(C)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C24H19ClF3N5O/c1-13-21(22(30-14(2)29-13)15-7-5-4-6-8-15)31-23(34)17-11-16(20-9-10-33(3)32-20)18(12-19(17)25)24(26,27)28/h4-12H,1-3H3,(H,31,34)
InChIKeyUAPIJZRAJRFXSV-UHFFFAOYSA-N
MW485.90 g/mol
LogP6.09
Rot. Bonds4

About 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 129064988) has the molecular formula C24H19ClF3N5O and a molecular weight of 485.90 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID129064988
Molecular FormulaC24H19ClF3N5O
Molecular Weight485.90 g/mol
Exact Mass485.12
IUPAC Name2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(C)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C24H19ClF3N5O/c1-13-21(22(30-14(2)29-13)15-7-5-4-6-8-15)31-23(34)17-11-16(20-9-10-33(3)32-20)18(12-19(17)25)24(26,27)28/h4-12H,1-3H3,(H,31,34)
InChIKeyUAPIJZRAJRFXSV-UHFFFAOYSA-N
XLogP6.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.90
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 129064988) is 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1nc(C)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2Cl)c(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is UAPIJZRAJRFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O/c1-13-21(22(30-14(2)29-13)15-7-5-4-6-8-15)31-23(34)17-11-16(20-9-10-33(3)32-20)18(12-19(17)25)24(26,27)28/h4-12H,1-3H3,(H,31,34).
What are the key properties of 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 485.90 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethyl-6-phenylpyrimidin-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 129064988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).