1H-pyrazol-4-ylmethanesulfonamide

C4H7N3O2S — CID 50989791

IUPAC1H-pyrazol-4-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cn[nH]c1
InChIInChI=1S/C4H7N3O2S/c5-10(8,9)3-4-1-6-7-2-4/h1-2H,3H2,(H,6,7)(H2,5,8,9)
InChIKeyTVEVVJWHQDQNFY-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.80
Rot. Bonds2

About 1H-pyrazol-4-ylmethanesulfonamide

1H-pyrazol-4-ylmethanesulfonamide (PubChem CID 50989791) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is 1H-pyrazol-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1H-pyrazol-4-ylmethanesulfonamide
PubChem CID50989791
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name1H-pyrazol-4-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cn[nH]c1
InChIInChI=1S/C4H7N3O2S/c5-10(8,9)3-4-1-6-7-2-4/h1-2H,3H2,(H,6,7)(H2,5,8,9)
InChIKeyTVEVVJWHQDQNFY-UHFFFAOYSA-N
XLogP-0.80
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylmethanesulfonamide?
The IUPAC name of 1H-pyrazol-4-ylmethanesulfonamide (CID 50989791) is 1H-pyrazol-4-ylmethanesulfonamide.
What is the SMILES notation for 1H-pyrazol-4-ylmethanesulfonamide?
The canonical SMILES for 1H-pyrazol-4-ylmethanesulfonamide is NS(=O)(=O)Cc1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylmethanesulfonamide?
The InChIKey is TVEVVJWHQDQNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c5-10(8,9)3-4-1-6-7-2-4/h1-2H,3H2,(H,6,7)(H2,5,8,9).
What are the key properties of 1H-pyrazol-4-ylmethanesulfonamide?
1H-pyrazol-4-ylmethanesulfonamide has a molecular weight of 161.19 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylmethanesulfonamide is sourced from PubChem (CID 50989791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).