5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol

C13H16N2O3S — CID 59654515

IUPAC5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol
SMILESCC(C)c1nn(C)c(S(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C13H16N2O3S/c1-9(2)11-12(16)13(15(3)14-11)19(17,18)10-7-5-4-6-8-10/h4-9,16H,1-3H3
InChIKeyPKEBUPOXKRIUEP-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.08
Rot. Bonds3

About 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol

5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol (PubChem CID 59654515) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol
PubChem CID59654515
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol
SMILESCC(C)c1nn(C)c(S(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C13H16N2O3S/c1-9(2)11-12(16)13(15(3)14-11)19(17,18)10-7-5-4-6-8-10/h4-9,16H,1-3H3
InChIKeyPKEBUPOXKRIUEP-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol?
The IUPAC name of 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol (CID 59654515) is 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol.
What is the SMILES notation for 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol?
The canonical SMILES for 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol is CC(C)c1nn(C)c(S(=O)(=O)c2ccccc2)c1O.
What is the InChIKey of 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol?
The InChIKey is PKEBUPOXKRIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(2)11-12(16)13(15(3)14-11)19(17,18)10-7-5-4-6-8-10/h4-9,16H,1-3H3.
What are the key properties of 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol?
5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol has a molecular weight of 280.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol is sourced from PubChem (CID 59654515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).