1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol

C15H19ClN2O — CID 114633784

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
SMILESCCn1ncc(Cl)c1C(C)(O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H19ClN2O/c1-5-18-14(13(16)9-17-18)15(4,19)12-7-6-10(2)11(3)8-12/h6-9,19H,5H2,1-4H3
InChIKeyWFJLWVROSOUDRD-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.43
Rot. Bonds3

About 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol (PubChem CID 114633784) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
PubChem CID114633784
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
SMILESCCn1ncc(Cl)c1C(C)(O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H19ClN2O/c1-5-18-14(13(16)9-17-18)15(4,19)12-7-6-10(2)11(3)8-12/h6-9,19H,5H2,1-4H3
InChIKeyWFJLWVROSOUDRD-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114637015
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol
CID 114083179
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
CID 114633436
3-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 114667019
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol
CID 114637006
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63963688

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol (CID 114633784) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol is CCn1ncc(Cl)c1C(C)(O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is WFJLWVROSOUDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-5-18-14(13(16)9-17-18)15(4,19)12-7-6-10(2)11(3)8-12/h6-9,19H,5H2,1-4H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 278.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 114633784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).