3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid

C11H13N3O3 — CID 64529229

IUPAC3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(CC1C=CCC1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H13N3O3/c15-10(5-7-3-1-2-4-7)12-9-6-8(11(16)17)13-14-9/h1,3,6-7H,2,4-5H2,(H,16,17)(H2,12,13,14,15)
InChIKeyHKRUGUMUONDANZ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.40
Rot. Bonds4

About 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64529229) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64529229
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(CC1C=CCC1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H13N3O3/c15-10(5-7-3-1-2-4-7)12-9-6-8(11(16)17)13-14-9/h1,3,6-7H,2,4-5H2,(H,16,17)(H2,12,13,14,15)
InChIKeyHKRUGUMUONDANZ-UHFFFAOYSA-N
XLogP1.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 60740516
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 103730318
3-(but-3-enoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527466
2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 97007964
N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 71849772
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
2-[(1S)-cyclopent-2-en-1-yl]-N-quinolin-2-ylacetamide
CID 52524469
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 79160380

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64529229) is 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(CC1C=CCC1)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is HKRUGUMUONDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(5-7-3-1-2-4-7)12-9-6-8(11(16)17)13-14-9/h1,3,6-7H,2,4-5H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64529229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).