1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol

C13H16N2OS — CID 55237966

IUPAC1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol
SMILESCc1cc(Sc2ccc(C(C)O)cc2)n(C)n1
InChIInChI=1S/C13H16N2OS/c1-9-8-13(15(3)14-9)17-12-6-4-11(5-7-12)10(2)16/h4-8,10,16H,1-3H3
InChIKeyGZGODKRGFANZAH-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.93
Rot. Bonds3

About 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol

1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol (PubChem CID 55237966) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol
PubChem CID55237966
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol
SMILESCc1cc(Sc2ccc(C(C)O)cc2)n(C)n1
InChIInChI=1S/C13H16N2OS/c1-9-8-13(15(3)14-9)17-12-6-4-11(5-7-12)10(2)16/h4-8,10,16H,1-3H3
InChIKeyGZGODKRGFANZAH-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238909
N-[[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63808313
(1S)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938956
(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238900
2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
CID 62403583
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile
CID 115489973
3-(2,5-dimethylpyrazol-3-yl)sulfanylbenzoic acid
CID 102823819
1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
CID 64813400
2-(2,5-dimethylpyrazol-3-yl)sulfanylaniline
CID 62409911
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305
(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol
CID 78951902

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol (CID 55237966) is 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol is Cc1cc(Sc2ccc(C(C)O)cc2)n(C)n1.
What is the InChIKey of 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol?
The InChIKey is GZGODKRGFANZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-8-13(15(3)14-9)17-12-6-4-11(5-7-12)10(2)16/h4-8,10,16H,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol?
1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol has a molecular weight of 248.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55237966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).