1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol

C13H16N2O3S — CID 59278348

IUPAC1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N2O3S/c1-3-13(16)12-8-9-15(14-12)19(17,18)11-6-4-10(2)5-7-11/h4-9,13,16H,3H2,1-2H3
InChIKeyBWVZUFYDMCAAIF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol

1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol (PubChem CID 59278348) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol
PubChem CID59278348
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N2O3S/c1-3-13(16)12-8-9-15(14-12)19(17,18)11-6-4-10(2)5-7-11/h4-9,13,16H,3H2,1-2H3
InChIKeyBWVZUFYDMCAAIF-UHFFFAOYSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol
CID 10378883
methyl 3-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propanoate
CID 19780306
ethyl 4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-2,4-dioxobutanoate
CID 69379486
(NE,R)-2-methyl-N-[1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propylidene]propane-2-sulfinamide
CID 58084255
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-[(2S)-butan-2-yl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 6944872
3-methyl-1-[4-[4-(3-methylpyrazol-1-yl)sulfonylphenoxy]phenyl]sulfonylpyrazole
CID 138046155
4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 68743668
2,3-dihydroxypentyl 4-methylbenzenesulfonate
CID 14237203
[(2R,3S)-2-hydroxy-3-methylpentyl] 4-methylbenzenesulfonate
CID 59131945

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol (CID 59278348) is 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol is CCC(O)c1ccn(S(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol?
The InChIKey is BWVZUFYDMCAAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-13(16)12-8-9-15(14-12)19(17,18)11-6-4-10(2)5-7-11/h4-9,13,16H,3H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol?
1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol has a molecular weight of 280.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 59278348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).