1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol

C14H16ClFN2O — CID 114637015

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCCn1ncc(Cl)c1C(C)(O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H16ClFN2O/c1-4-18-13(11(15)8-17-18)14(3,19)10-6-5-9(2)12(16)7-10/h5-8,19H,4H2,1-3H3
InChIKeyXYXXQMORZYUWSS-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 114637015) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol
PubChem CID114637015
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCCn1ncc(Cl)c1C(C)(O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H16ClFN2O/c1-4-18-13(11(15)8-17-18)14(3,19)10-6-5-9(2)12(16)7-10/h5-8,19H,4H2,1-3H3
InChIKeyXYXXQMORZYUWSS-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
CID 114633784
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-(3,5-difluorophenyl)ethanol
CID 114637006
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-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
CID 114633412
4-chloro-1-ethyl-5-fluoropyrazole
CID 105429239
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol (CID 114637015) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol is CCn1ncc(Cl)c1C(C)(O)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is XYXXQMORZYUWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-4-18-13(11(15)8-17-18)14(3,19)10-6-5-9(2)12(16)7-10/h5-8,19H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 282.75 g/mol, XLogP of 3.26, 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-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 114637015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).