1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C17H16F3N3O3 — CID 119227143

IUPAC1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(NC(=O)C3CCCC3)c2)c1C(F)(F)F
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)14-13(16(25)26)9-21-23(14)12-7-3-6-11(8-12)22-15(24)10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H,22,24)(H,25,26)
InChIKeyKCWIZBZOJGYMET-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.72
Rot. Bonds4

About 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 119227143) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID119227143
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(NC(=O)C3CCCC3)c2)c1C(F)(F)F
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)14-13(16(25)26)9-21-23(14)12-7-3-6-11(8-12)22-15(24)10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H,22,24)(H,25,26)
InChIKeyKCWIZBZOJGYMET-UHFFFAOYSA-N
XLogP3.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(1-methylcyclobutanecarbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 120523981
1-[3-[(1-ethylcyclobutanecarbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 119227123
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514810
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
1-[4-(3-cyclobutylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 120523969
1-[3-[2-(hydroxymethyl)-5-methylcyclohexen-1-yl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 118626286
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(carbamoylamino)phenyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33439470
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
cis-(1S,3R)-3-[[1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676889
N-[3-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]cyclobutanecarboxamide
CID 46134239

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 119227143) is 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc(NC(=O)C3CCCC3)c2)c1C(F)(F)F.
What is the InChIKey of 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is KCWIZBZOJGYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)14-13(16(25)26)9-21-23(14)12-7-3-6-11(8-12)22-15(24)10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H,22,24)(H,25,26).
What are the key properties of 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 367.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentanecarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 119227143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).