N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide

C13H23N3O2S — CID 61447746

IUPACN,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C13H23N3O2S/c1-9-6-5-7-12(8-9)16(4)19(17,18)13-10(2)14-15-11(13)3/h9,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyRYFHBUZJHOFJAV-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.23
Rot. Bonds3

About N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61447746) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
PubChem CID61447746
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C13H23N3O2S/c1-9-6-5-7-12(8-9)16(4)19(17,18)13-10(2)14-15-11(13)3/h9,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyRYFHBUZJHOFJAV-UHFFFAOYSA-N
XLogP2.23
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide (CID 61447746) is N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCCC(C)C1.
What is the InChIKey of N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RYFHBUZJHOFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9-6-5-7-12(8-9)16(4)19(17,18)13-10(2)14-15-11(13)3/h9,12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61447746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).