5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide

C11H20N4O3S — CID 62526726

IUPAC5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H20N4O3S/c1-8-2-4-11(7-16,5-3-8)15-19(17,18)9-6-13-14-10(9)12/h6,8,15-16H,2-5,7H2,1H3,(H3,12,13,14)
InChIKeyYALZIKIWMLNEGO-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.21
Rot. Bonds4

About 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 62526726) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID62526726
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H20N4O3S/c1-8-2-4-11(7-16,5-3-8)15-19(17,18)9-6-13-14-10(9)12/h6,8,15-16H,2-5,7H2,1H3,(H3,12,13,14)
InChIKeyYALZIKIWMLNEGO-UHFFFAOYSA-N
XLogP0.21
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide (CID 62526726) is 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide is CC1CCC(CO)(NS(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is YALZIKIWMLNEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-2-4-11(7-16,5-3-8)15-19(17,18)9-6-13-14-10(9)12/h6,8,15-16H,2-5,7H2,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62526726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).