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

C9H17N3O2S — CID 19681198

IUPAC1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)C)cnn1C
InChIInChI=1S/C9H17N3O2S/c1-7(2)5-11-15(13,14)9-6-10-12(4)8(9)3/h6-7,11H,5H2,1-4H3
InChIKeyJZTAJKRRXWALLG-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds4

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

1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 19681198) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID19681198
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC(C)C)cnn1C
InChIInChI=1S/C9H17N3O2S/c1-7(2)5-11-15(13,14)9-6-10-12(4)8(9)3/h6-7,11H,5H2,1-4H3
InChIKeyJZTAJKRRXWALLG-UHFFFAOYSA-N
XLogP0.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (CID 19681198) is 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC(C)C)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is JZTAJKRRXWALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(2)5-11-15(13,14)9-6-10-12(4)8(9)3/h6-7,11H,5H2,1-4H3.
What are the key properties of 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19681198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).