N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

C5H9N3O2S — CID 18339362

IUPACN-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)n[nH]1
InChIInChI=1S/C5H9N3O2S/c1-4-3-5(7-6-4)8-11(2,9)10/h3H,1-2H3,(H2,6,7,8)
InChIKeyGHKIAKGGNASQSU-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.09
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 18339362) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID18339362
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)n[nH]1
InChIInChI=1S/C5H9N3O2S/c1-4-3-5(7-6-4)8-11(2,9)10/h3H,1-2H3,(H2,6,7,8)
InChIKeyGHKIAKGGNASQSU-UHFFFAOYSA-N
XLogP0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (CID 18339362) is N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is GHKIAKGGNASQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-4-3-5(7-6-4)8-11(2,9)10/h3H,1-2H3,(H2,6,7,8).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 175.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 18339362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).