N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

C13H23N3O2S — CID 54881377

IUPACN-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O2S/c1-3-11-4-6-12(7-5-11)8-15-19(17,18)13-9-14-16-10(13)2/h9,11-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyVUXXWSZLZOVXGQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.21
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54881377) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54881377
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O2S/c1-3-11-4-6-12(7-5-11)8-15-19(17,18)13-9-14-16-10(13)2/h9,11-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyVUXXWSZLZOVXGQ-UHFFFAOYSA-N
XLogP2.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 54881377) is N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is CCC1CCC(CNS(=O)(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VUXXWSZLZOVXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-11-4-6-12(7-5-11)8-15-19(17,18)13-9-14-16-10(13)2/h9,11-12,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54881377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).