[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol

C14H18N2OS — CID 55240038

IUPAC[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1ccc(Sc2c(CO)c(C)nn2C)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-13(10(2)7-9)18-14-12(8-17)11(3)15-16(14)4/h5-7,17H,8H2,1-4H3
InChIKeyNEOJCOCBKYOERS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.99
Rot. Bonds3

About [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol

[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 55240038) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID55240038
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1ccc(Sc2c(CO)c(C)nn2C)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-13(10(2)7-9)18-14-12(8-17)11(3)15-16(14)4/h5-7,17H,8H2,1-4H3
InChIKeyNEOJCOCBKYOERS-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methanol
CID 1474368
{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methanol
CID 2763766
[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]methanol
CID 2763922
[5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 2774743
[1-Methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 2775498
[3-(Difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol
CID 20699528
(1-Methyl-3-(trifluoromethyl)-5-{[3-(trifluoro-methyl)phenyl]sulfanyl}-1H-pyrazol-4-yl)methanol
CID 1475904
1-[2-(2,5-Dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
CID 55238157
[5-(2-Fluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
CID 55238326
(1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
CID 55240831
4-[5-[(2,5-Dimethylpyrazol-3-yl)sulfanylmethyl]-2-fluorophenyl]but-3-yn-1-ol
CID 62402353
3-[5-[(2,5-Dimethylpyrazol-3-yl)sulfanylmethyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 62405006

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol (CID 55240038) is [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol is Cc1ccc(Sc2c(CO)c(C)nn2C)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is NEOJCOCBKYOERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-6-13(10(2)7-9)18-14-12(8-17)11(3)15-16(14)4/h5-7,17H,8H2,1-4H3.
What are the key properties of [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol?
[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 55240038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).