3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid

C19H23N3O3 — CID 120541513

IUPAC3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C19H23N3O3/c1-13(19(24)25)12-14-6-8-15(9-7-14)21-18(23)17-10-11-20-22(17)16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyJKMRNODWTGDOOM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.51
Rot. Bonds6

About 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid

3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 120541513) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID120541513
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C19H23N3O3/c1-13(19(24)25)12-14-6-8-15(9-7-14)21-18(23)17-10-11-20-22(17)16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyJKMRNODWTGDOOM-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic 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

2-cyclopentyl-N-(2-ethylpyrimidin-5-yl)pyrazole-3-carboxamide
CID 139011643
2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 136566757
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
CID 120518063
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
CID 129401452
2-cyclopentyl-N-(5-methyl-6-oxo-1H-pyridin-3-yl)pyrazole-3-carboxamide
CID 138994299
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530593
3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 120541217
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
CID 120535691
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid (CID 120541513) is 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid is CC(Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1)C(=O)O.
What is the InChIKey of 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is JKMRNODWTGDOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(19(24)25)12-14-6-8-15(9-7-14)21-18(23)17-10-11-20-22(17)16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120541513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).