N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide

C9H15N3O2S — CID 62855891

IUPACN-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2S/c1-12(7-8-3-2-4-8)15(13,14)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeyBQGGWSRGZWIANF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds4

About N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide

N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 62855891) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID62855891
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2S/c1-12(7-8-3-2-4-8)15(13,14)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeyBQGGWSRGZWIANF-UHFFFAOYSA-N
XLogP0.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide (CID 62855891) is N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide is CN(CC1CCC1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BQGGWSRGZWIANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12(7-8-3-2-4-8)15(13,14)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11).
What are the key properties of N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62855891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).