1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide

C9H13N5O2S — CID 22209067

IUPAC1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C9H13N5O2S/c1-7-8(6-14(3)10-7)17(15,16)12-9-4-5-13(2)11-9/h4-6H,1-3H3,(H,11,12)
InChIKeyRMXOSPAQFNGMQY-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.26
Rot. Bonds3

About 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 22209067) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
PubChem CID22209067
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C9H13N5O2S/c1-7-8(6-14(3)10-7)17(15,16)12-9-4-5-13(2)11-9/h4-6H,1-3H3,(H,11,12)
InChIKeyRMXOSPAQFNGMQY-UHFFFAOYSA-N
XLogP0.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide (CID 22209067) is 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccn(C)n1.
What is the InChIKey of 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is RMXOSPAQFNGMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-7-8(6-14(3)10-7)17(15,16)12-9-4-5-13(2)11-9/h4-6H,1-3H3,(H,11,12).
What are the key properties of 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22209067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).