(1-methylpyrazol-4-yl)methanesulfonamide

C5H9N3O2S — CID 50988991

IUPAC(1-methylpyrazol-4-yl)methanesulfonamide
SMILESCn1cc(CS(N)(=O)=O)cn1
InChIInChI=1S/C5H9N3O2S/c1-8-3-5(2-7-8)4-11(6,9)10/h2-3H,4H2,1H3,(H2,6,9,10)
InChIKeyPYHBPMYORLDKDX-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.79
Rot. Bonds2

About (1-methylpyrazol-4-yl)methanesulfonamide

(1-methylpyrazol-4-yl)methanesulfonamide (PubChem CID 50988991) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)methanesulfonamide
PubChem CID50988991
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name(1-methylpyrazol-4-yl)methanesulfonamide
SMILESCn1cc(CS(N)(=O)=O)cn1
InChIInChI=1S/C5H9N3O2S/c1-8-3-5(2-7-8)4-11(6,9)10/h2-3H,4H2,1H3,(H2,6,9,10)
InChIKeyPYHBPMYORLDKDX-UHFFFAOYSA-N
XLogP-0.79
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1H-pyrazole-4-sulfonamide
CID 13342789
1-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485337
1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024730
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-Propyl-1H-pyrazole-4-sulfonyl chloride
CID 19576718
1-methyl-1H-pyrazole-4-sulfonohydrazide
CID 19616386
(1-methyl-1H-pyrazol-4-yl)methanethiol
CID 20147628
1,4-dimethyl-1H-pyrazole-5-sulfonyl chloride
CID 45923672
4-bromo-1-(2-methanesulfonylethyl)-1H-pyrazole
CID 54593647
4-methanesulfonyl-1-methyl-1H-pyrazole
CID 57587962
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61394736
1-(cyclopropylmethyl)-1H-pyrazole-4-sulfonamide
CID 75355934

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)methanesulfonamide?
The IUPAC name of (1-methylpyrazol-4-yl)methanesulfonamide (CID 50988991) is (1-methylpyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for (1-methylpyrazol-4-yl)methanesulfonamide?
The canonical SMILES for (1-methylpyrazol-4-yl)methanesulfonamide is Cn1cc(CS(N)(=O)=O)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)methanesulfonamide?
The InChIKey is PYHBPMYORLDKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-8-3-5(2-7-8)4-11(6,9)10/h2-3H,4H2,1H3,(H2,6,9,10).
What are the key properties of (1-methylpyrazol-4-yl)methanesulfonamide?
(1-methylpyrazol-4-yl)methanesulfonamide has a molecular weight of 175.21 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 50988991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).