1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide

C10H13N5O2S — CID 17370781

IUPAC1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cnn(C)c2C)n1
InChIInChI=1S/C10H13N5O2S/c1-7-4-5-11-10(13-7)14-18(16,17)9-6-12-15(3)8(9)2/h4-6H,1-3H3,(H,11,13,14)
InChIKeyXKMCHPAZXQLRHU-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.63
Rot. Bonds3

About 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide

1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide (PubChem CID 17370781) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
PubChem CID17370781
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cnn(C)c2C)n1
InChIInChI=1S/C10H13N5O2S/c1-7-4-5-11-10(13-7)14-18(16,17)9-6-12-15(3)8(9)2/h4-6H,1-3H3,(H,11,13,14)
InChIKeyXKMCHPAZXQLRHU-UHFFFAOYSA-N
XLogP0.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide (CID 17370781) is 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide is Cc1ccnc(NS(=O)(=O)c2cnn(C)c2C)n1.
What is the InChIKey of 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
The InChIKey is XKMCHPAZXQLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-7-4-5-11-10(13-7)14-18(16,17)9-6-12-15(3)8(9)2/h4-6H,1-3H3,(H,11,13,14).
What are the key properties of 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-methylpyrimidin-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 17370781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).