1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol

C13H15ClN2O — CID 82087522

IUPAC1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1cc(C)n(CC(O)c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2O/c1-9-7-10(2)16(15-9)8-13(17)11-5-3-4-6-12(11)14/h3-7,13,17H,8H2,1-2H3
InChIKeyGSCLXYDLSBZOGR-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol

1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol (PubChem CID 82087522) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
PubChem CID82087522
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1cc(C)n(CC(O)c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2O/c1-9-7-10(2)16(15-9)8-13(17)11-5-3-4-6-12(11)14/h3-7,13,17H,8H2,1-2H3
InChIKeyGSCLXYDLSBZOGR-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 109411972
2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 55022519
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119580
2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 56837220
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
3-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1,2,4-triazol-3-yl]benzonitrile
CID 109412389
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one
CID 94387276
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 55022520
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 807758

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol (CID 82087522) is 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol is Cc1cc(C)n(CC(O)c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol?
The InChIKey is GSCLXYDLSBZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-7-10(2)16(15-9)8-13(17)11-5-3-4-6-12(11)14/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol?
1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol has a molecular weight of 250.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 82087522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).