2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid

C17H19N3O3 — CID 120518063

IUPAC2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccnn1C1CCCC1
InChIInChI=1S/C17H19N3O3/c21-16(14-10-11-18-20(14)13-8-4-5-9-13)19-15(17(22)23)12-6-2-1-3-7-12/h1-3,6-7,10-11,13,15H,4-5,8-9H2,(H,19,21)(H,22,23)
InChIKeyGXWOBXGJFLFLDA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid

2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 120518063) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID120518063
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccnn1C1CCCC1
InChIInChI=1S/C17H19N3O3/c21-16(14-10-11-18-20(14)13-8-4-5-9-13)19-15(17(22)23)12-6-2-1-3-7-12/h1-3,6-7,10-11,13,15H,4-5,8-9H2,(H,19,21)(H,22,23)
InChIKeyGXWOBXGJFLFLDA-UHFFFAOYSA-N
XLogP2.55
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 61144073
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530593
3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541513
N-benzyl-2-cyclopropylpyrazole-3-carboxamide
CID 83406815
2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 167838088
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546523
8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
CID 120535691
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2R)-2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 119367660
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
CID 138011380
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
4-[(2-cyclopentylpyrazole-3-carbonyl)amino]thiane-4-carboxylic acid
CID 120531297

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid (CID 120518063) is 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccnn1C1CCCC1.
What is the InChIKey of 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is GXWOBXGJFLFLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(14-10-11-18-20(14)13-8-4-5-9-13)19-15(17(22)23)12-6-2-1-3-7-12/h1-3,6-7,10-11,13,15H,4-5,8-9H2,(H,19,21)(H,22,23).
What are the key properties of 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid?
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 313.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 120518063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).