1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

C12H17N3O2S2 — CID 72717936

IUPAC1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCCN(Cc1ccsc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H17N3O2S2/c1-3-5-15(8-11-4-6-18-10-11)19(16,17)12-7-13-14(2)9-12/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyDGYDKTIXCZPCDS-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.08
Rot. Bonds6

About 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 72717936) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID72717936
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCCN(Cc1ccsc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H17N3O2S2/c1-3-5-15(8-11-4-6-18-10-11)19(16,17)12-7-13-14(2)9-12/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyDGYDKTIXCZPCDS-UHFFFAOYSA-N
XLogP2.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (CID 72717936) is 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is CCCN(Cc1ccsc1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is DGYDKTIXCZPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-3-5-15(8-11-4-6-18-10-11)19(16,17)12-7-13-14(2)9-12/h4,6-7,9-10H,3,5,8H2,1-2H3.
What are the key properties of 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 72717936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).