1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide

C12H21N3O2S — CID 22772364

IUPAC1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(C)CC2)cn1
InChIInChI=1S/C12H21N3O2S/c1-3-15-9-12(8-13-15)18(16,17)14-11-6-4-10(2)5-7-11/h8-11,14H,3-7H2,1-2H3
InChIKeyXRDMGTJVSZRNCX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.76
Rot. Bonds4

About 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide

1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide (PubChem CID 22772364) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
PubChem CID22772364
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(C)CC2)cn1
InChIInChI=1S/C12H21N3O2S/c1-3-15-9-12(8-13-15)18(16,17)14-11-6-4-10(2)5-7-11/h8-11,14H,3-7H2,1-2H3
InChIKeyXRDMGTJVSZRNCX-UHFFFAOYSA-N
XLogP1.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide (CID 22772364) is 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCC(C)CC2)cn1.
What is the InChIKey of 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is XRDMGTJVSZRNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-15-9-12(8-13-15)18(16,17)14-11-6-4-10(2)5-7-11/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22772364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).