N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C19H25F3N4O — CID 119599457

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H25F3N4O/c1-12(2)9-18(4,11-23)25-17(27)16-10-24-26(13(16)3)15-7-5-6-14(8-15)19(20,21)22/h5-8,10,12H,9,11,23H2,1-4H3,(H,25,27)
InChIKeyCQKXENQCYGNAPH-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.69
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 119599457) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID119599457
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H25F3N4O/c1-12(2)9-18(4,11-23)25-17(27)16-10-24-26(13(16)3)15-7-5-6-14(8-15)19(20,21)22/h5-8,10,12H,9,11,23H2,1-4H3,(H,25,27)
InChIKeyCQKXENQCYGNAPH-UHFFFAOYSA-N
XLogP3.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119598750
N-[3-(aminomethyl)pentan-3-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119571003
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624
(2S)-3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119360282
3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 119212172
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514572
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 119599457) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC(C)(CN)CC(C)C)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is CQKXENQCYGNAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-12(2)9-18(4,11-23)25-17(27)16-10-24-26(13(16)3)15-7-5-6-14(8-15)19(20,21)22/h5-8,10,12H,9,11,23H2,1-4H3,(H,25,27).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119599457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).