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

C11H17N3O4S — CID 66031148

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c1-6-10(7(2)13-12-6)19(17,18)14-9-4-3-8(5-9)11(15)16/h8-9,14H,3-5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyFNWMLOSNXKIROE-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.56
Rot. Bonds4

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

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031148) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66031148
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c1-6-10(7(2)13-12-6)19(17,18)14-9-4-3-8(5-9)11(15)16/h8-9,14H,3-5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyFNWMLOSNXKIROE-UHFFFAOYSA-N
XLogP0.56
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66031148) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FNWMLOSNXKIROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-6-10(7(2)13-12-6)19(17,18)14-9-4-3-8(5-9)11(15)16/h8-9,14H,3-5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).