4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid

C17H18F3N3O3 — CID 119357520

IUPAC4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H18F3N3O3/c1-16(2,8-6-14(24)25)21-15(26)11-4-3-5-12(10-11)23-9-7-13(22-23)17(18,19)20/h3-5,7,9-10H,6,8H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyZUMNARSXUKVYIA-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.26
Rot. Bonds6

About 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid

4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid (PubChem CID 119357520) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
PubChem CID119357520
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H18F3N3O3/c1-16(2,8-6-14(24)25)21-15(26)11-4-3-5-12(10-11)23-9-7-13(22-23)17(18,19)20/h3-5,7,9-10H,6,8H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyZUMNARSXUKVYIA-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
N-[(2R)-2-(ethylamino)propyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 120650260
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]butanoic acid
CID 175308580
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 75468856
4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119604762
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid (CID 119357520) is 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid?
The InChIKey is ZUMNARSXUKVYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-16(2,8-6-14(24)25)21-15(26)11-4-3-5-12(10-11)23-9-7-13(22-23)17(18,19)20/h3-5,7,9-10H,6,8H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid?
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid has a molecular weight of 369.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119357520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).