5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C22H20F3N3O — CID 52850985

IUPAC5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1
InChIInChI=1S/C22H20F3N3O/c1-14-6-10-17(11-7-14)27(2)21(29)19-13-26-28(20(19)15-8-9-15)18-5-3-4-16(12-18)22(23,24)25/h3-7,10-13,15H,8-9H2,1-2H3
InChIKeyPOULVHTXYRVPBG-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.35
Rot. Bonds4

About 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 52850985) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID52850985
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1
InChIInChI=1S/C22H20F3N3O/c1-14-6-10-17(11-7-14)27(2)21(29)19-13-26-28(20(19)15-8-9-15)18-5-3-4-16(12-18)22(23,24)25/h3-7,10-13,15H,8-9H2,1-2H3
InChIKeyPOULVHTXYRVPBG-UHFFFAOYSA-N
XLogP5.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119550146
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
1-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835873
5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55609641
5-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819195
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120944942
2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55606693
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819306
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 119414315

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 52850985) is 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1ccc(N(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is POULVHTXYRVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c1-14-6-10-17(11-7-14)27(2)21(29)19-13-26-28(20(19)15-8-9-15)18-5-3-4-16(12-18)22(23,24)25/h3-7,10-13,15H,8-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 52850985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).