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

C9H15N3O2S — CID 47377357

IUPACN-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide
SMILESCC1(NS(=O)(=O)c2cn[nH]c2)CCCC1
InChIInChI=1S/C9H15N3O2S/c1-9(4-2-3-5-9)12-15(13,14)8-6-10-11-7-8/h6-7,12H,2-5H2,1H3,(H,10,11)
InChIKeyKSRMZRFZTDPAGC-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.02
Rot. Bonds3

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

N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47377357) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide
PubChem CID47377357
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide
SMILESCC1(NS(=O)(=O)c2cn[nH]c2)CCCC1
InChIInChI=1S/C9H15N3O2S/c1-9(4-2-3-5-9)12-15(13,14)8-6-10-11-7-8/h6-7,12H,2-5H2,1H3,(H,10,11)
InChIKeyKSRMZRFZTDPAGC-UHFFFAOYSA-N
XLogP1.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide (CID 47377357) is N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide is CC1(NS(=O)(=O)c2cn[nH]c2)CCCC1.
What is the InChIKey of N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KSRMZRFZTDPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(4-2-3-5-9)12-15(13,14)8-6-10-11-7-8/h6-7,12H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide?
N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47377357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).