1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole

C13H16N2O2S — CID 6621128

IUPAC1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole
SMILESCC(C)Cc1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C13H16N2O2S/c1-11(2)10-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14-15/h3-9,11H,10H2,1-2H3
InChIKeyCIZDUCXALYYOPT-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.32
Rot. Bonds4

About 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole

1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole (PubChem CID 6621128) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole
PubChem CID6621128
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole
SMILESCC(C)Cc1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C13H16N2O2S/c1-11(2)10-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14-15/h3-9,11H,10H2,1-2H3
InChIKeyCIZDUCXALYYOPT-UHFFFAOYSA-N
XLogP2.32
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)sulfonylpyrazole
CID 843460
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-(4-nitrophenyl)sulfonylpyrazole
CID 737698
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050741
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 55627297
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole (CID 6621128) is 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole is CC(C)Cc1ccc(S(=O)(=O)n2cccn2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole?
The InChIKey is CIZDUCXALYYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-11(2)10-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14-15/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole?
1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole has a molecular weight of 264.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole is sourced from PubChem (CID 6621128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).