2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide

C20H21ClF4N6O — CID 121464282

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)Nc1nnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C20H21ClF4N6O/c1-10(2)15-17(27-29-30(15)13-8-6-12(22)7-9-13)26-18(32)19(4,5)31-11(3)14(21)16(28-31)20(23,24)25/h6-10H,1-5H3,(H,26,32)
InChIKeyNPVGKBRLXFSMGM-UHFFFAOYSA-N
MW472.87 g/mol
LogP5.08
Rot. Bonds5

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide (PubChem CID 121464282) has the molecular formula C20H21ClF4N6O and a molecular weight of 472.87 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide
PubChem CID121464282
Molecular FormulaC20H21ClF4N6O
Molecular Weight472.87 g/mol
Exact Mass472.14
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)Nc1nnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C20H21ClF4N6O/c1-10(2)15-17(27-29-30(15)13-8-6-12(22)7-9-13)26-18(32)19(4,5)31-11(3)14(21)16(28-31)20(23,24)25/h6-10H,1-5H3,(H,26,32)
InChIKeyNPVGKBRLXFSMGM-UHFFFAOYSA-N
XLogP5.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide
CID 90215380
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylimidazol-4-yl]-7-hydroxyheptan-2-one
CID 159734730
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769596
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methylbutan-1-one
CID 73335540
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 1370410
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 76902961
1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16652149
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
CID 73335334

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide (CID 121464282) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)Nc1nnn(-c2ccc(F)cc2)c1C(C)C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide?
The InChIKey is NPVGKBRLXFSMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF4N6O/c1-10(2)15-17(27-29-30(15)13-8-6-12(22)7-9-13)26-18(32)19(4,5)31-11(3)14(21)16(28-31)20(23,24)25/h6-10H,1-5H3,(H,26,32).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide has a molecular weight of 472.87 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 121464282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).