1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol

C13H13ClF2N2O — CID 115834899

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
SMILESCCn1ncc(Cl)c1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C13H13ClF2N2O/c1-2-18-13(9(14)7-17-18)12(19)6-8-10(15)4-3-5-11(8)16/h3-5,7,12,19H,2,6H2,1H3
InChIKeyOTXROFQVXXUSCR-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol (PubChem CID 115834899) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
PubChem CID115834899
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
SMILESCCn1ncc(Cl)c1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C13H13ClF2N2O/c1-2-18-13(9(14)7-17-18)12(19)6-8-10(15)4-3-5-11(8)16/h3-5,7,12,19H,2,6H2,1H3
InChIKeyOTXROFQVXXUSCR-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanol
CID 114643302
1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644158
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644222
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105040483
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 114643528

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol (CID 115834899) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol is CCn1ncc(Cl)c1C(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
The InChIKey is OTXROFQVXXUSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c1-2-18-13(9(14)7-17-18)12(19)6-8-10(15)4-3-5-11(8)16/h3-5,7,12,19H,2,6H2,1H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol has a molecular weight of 286.71 g/mol, XLogP of 3.11, 4 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)-2-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 115834899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).