3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid

C17H18F3N3O3 — CID 119211933

IUPAC3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)O
InChIInChI=1S/C17H18F3N3O3/c1-3-10(2)14(16(25)26)21-15(24)13-7-8-23(22-13)12-6-4-5-11(9-12)17(18,19)20/h4-10,14H,3H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyXMWJPQWICUINMI-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.12
Rot. Bonds6

About 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid

3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid (PubChem CID 119211933) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
PubChem CID119211933
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)O
InChIInChI=1S/C17H18F3N3O3/c1-3-10(2)14(16(25)26)21-15(24)13-7-8-23(22-13)12-6-4-5-11(9-12)17(18,19)20/h4-10,14H,3H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyXMWJPQWICUINMI-UHFFFAOYSA-N
XLogP3.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
(2S)-4-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119360865
3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 119212172
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 119504404
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
CID 78868120
3-methyl-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119170073
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 56793948
3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]pentanoic acid
CID 119212163
N-(1-amino-3-methyl-1-oxopentan-2-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78814159

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid (CID 119211933) is 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid is CCC(C)C(NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid?
The InChIKey is XMWJPQWICUINMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-3-10(2)14(16(25)26)21-15(24)13-7-8-23(22-13)12-6-4-5-11(9-12)17(18,19)20/h4-10,14H,3H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid?
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid has a molecular weight of 369.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119211933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).