N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide

C9H15N3O2S — CID 47267294

IUPACN-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2S/c13-15(14,9-6-10-11-7-9)12-5-8-3-1-2-4-8/h6-8,12H,1-5H2,(H,10,11)
InChIKeyICIMOARHUHGHEH-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.88
Rot. Bonds4

About N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide

N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267294) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267294
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2S/c13-15(14,9-6-10-11-7-9)12-5-8-3-1-2-4-8/h6-8,12H,1-5H2,(H,10,11)
InChIKeyICIMOARHUHGHEH-UHFFFAOYSA-N
XLogP0.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide (CID 47267294) is N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1CCCC1)c1cn[nH]c1.
What is the InChIKey of N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ICIMOARHUHGHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c13-15(14,9-6-10-11-7-9)12-5-8-3-1-2-4-8/h6-8,12H,1-5H2,(H,10,11).
What are the key properties of N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide?
N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).