N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

C14H19N3O2S2 — CID 71806202

IUPACN-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H19N3O2S2/c1-10-14(11(2)16(3)15-10)21(18,19)17(13-4-5-13)8-12-6-7-20-9-12/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyRFUOXWROQCLNOA-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.45
Rot. Bonds5

About N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 71806202) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID71806202
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H19N3O2S2/c1-10-14(11(2)16(3)15-10)21(18,19)17(13-4-5-13)8-12-6-7-20-9-12/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyRFUOXWROQCLNOA-UHFFFAOYSA-N
XLogP2.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (CID 71806202) is N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is RFUOXWROQCLNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-14(11(2)16(3)15-10)21(18,19)17(13-4-5-13)8-12-6-7-20-9-12/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71806202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).