N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H17N3O3S — CID 54929908

IUPACN-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H17N3O3S/c1-7-10(6-11-12-7)17(15,16)13-8-2-4-9(14)5-3-8/h6,8-9,13-14H,2-5H2,1H3,(H,11,12)
InChIKeyFBXQLBUXYVICJF-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.30
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929908) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929908
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H17N3O3S/c1-7-10(6-11-12-7)17(15,16)13-8-2-4-9(14)5-3-8/h6,8-9,13-14H,2-5H2,1H3,(H,11,12)
InChIKeyFBXQLBUXYVICJF-UHFFFAOYSA-N
XLogP0.30
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929908) is N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FBXQLBUXYVICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7-10(6-11-12-7)17(15,16)13-8-2-4-9(14)5-3-8/h6,8-9,13-14H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).