1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid

C9H13N3O4S — CID 102690675

IUPAC1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccn[nH]2)CCCC1
InChIInChI=1S/C9H13N3O4S/c13-8(14)9(4-1-2-5-9)12-17(15,16)7-3-6-10-11-7/h3,6,12H,1-2,4-5H2,(H,10,11)(H,13,14)
InChIKeyFFRCJNQFOSBPOO-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.09
Rot. Bonds4

About 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid

1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 102690675) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID102690675
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccn[nH]2)CCCC1
InChIInChI=1S/C9H13N3O4S/c13-8(14)9(4-1-2-5-9)12-17(15,16)7-3-6-10-11-7/h3,6,12H,1-2,4-5H2,(H,10,11)(H,13,14)
InChIKeyFFRCJNQFOSBPOO-UHFFFAOYSA-N
XLogP0.09
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid (CID 102690675) is 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccn[nH]2)CCCC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is FFRCJNQFOSBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c13-8(14)9(4-1-2-5-9)12-17(15,16)7-3-6-10-11-7/h3,6,12H,1-2,4-5H2,(H,10,11)(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid?
1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 102690675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).