4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide

C6H9N3O3S — CID 175853989

IUPAC4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Cc1cn[nH]c1C(N)=O
InChIInChI=1S/C6H9N3O3S/c1-13(11,12)3-4-2-8-9-5(4)6(7)10/h2H,3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyWRKZQUXDWSWNQB-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.95
Rot. Bonds3

About 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide

4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 175853989) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID175853989
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Cc1cn[nH]c1C(N)=O
InChIInChI=1S/C6H9N3O3S/c1-13(11,12)3-4-2-8-9-5(4)6(7)10/h2H,3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyWRKZQUXDWSWNQB-UHFFFAOYSA-N
XLogP-0.95
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide (CID 175853989) is 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide is CS(=O)(=O)Cc1cn[nH]c1C(N)=O.
What is the InChIKey of 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WRKZQUXDWSWNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-13(11,12)3-4-2-8-9-5(4)6(7)10/h2H,3H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide?
4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 203.22 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 175853989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).