4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

C11H15N3O4S — CID 79215852

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4S/c1-6-10(7(2)13-12-6)19(17,18)14-9-4-3-8(5-9)11(15)16/h3-4,8-9,14H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyABVNJMHPZPVPNP-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.33
Rot. Bonds4

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79215852) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79215852
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4S/c1-6-10(7(2)13-12-6)19(17,18)14-9-4-3-8(5-9)11(15)16/h3-4,8-9,14H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyABVNJMHPZPVPNP-UHFFFAOYSA-N
XLogP0.33
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 16767676
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 16767986
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 16768408
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 16768481
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 24262942
(2S,3S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylpentanoic acid
CID 28784213
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 42255442
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 42255445
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 42255785
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 42255789
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 42256103
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 42256107

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (CID 79215852) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is Cc1n[nH]c(C)c1S(=O)(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ABVNJMHPZPVPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6-10(7(2)13-12-6)19(17,18)14-9-4-3-8(5-9)11(15)16/h3-4,8-9,14H,5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79215852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).