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

C10H18N4O2S — CID 60809111

IUPAC5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C10H18N4O2S/c1-7-3-2-4-8(5-7)14-17(15,16)9-6-12-13-10(9)11/h6-8,14H,2-5H2,1H3,(H3,11,12,13)
InChIKeyCUNJHYXKBDIEIY-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.85
Rot. Bonds3

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

5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60809111) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
PubChem CID60809111
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C10H18N4O2S/c1-7-3-2-4-8(5-7)14-17(15,16)9-6-12-13-10(9)11/h6-8,14H,2-5H2,1H3,(H3,11,12,13)
InChIKeyCUNJHYXKBDIEIY-UHFFFAOYSA-N
XLogP0.85
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide (CID 60809111) is 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide is CC1CCCC(NS(=O)(=O)c2cn[nH]c2N)C1.
What is the InChIKey of 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CUNJHYXKBDIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7-3-2-4-8(5-7)14-17(15,16)9-6-12-13-10(9)11/h6-8,14H,2-5H2,1H3,(H3,11,12,13).
What are the key properties of 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60809111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).