1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol

C14H16ClFN2O2 — CID 114643059

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol
SMILESCOCCn1ncc(Cl)c1C(O)Cc1cccc(F)c1
InChIInChI=1S/C14H16ClFN2O2/c1-20-6-5-18-14(12(15)9-17-18)13(19)8-10-3-2-4-11(16)7-10/h2-4,7,9,13,19H,5-6,8H2,1H3
InChIKeyJQLFISZSUIJZNK-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.60
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol (PubChem CID 114643059) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol
PubChem CID114643059
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol
SMILESCOCCn1ncc(Cl)c1C(O)Cc1cccc(F)c1
InChIInChI=1S/C14H16ClFN2O2/c1-20-6-5-18-14(12(15)9-17-18)13(19)8-10-3-2-4-11(16)7-10/h2-4,7,9,13,19H,5-6,8H2,1H3
InChIKeyJQLFISZSUIJZNK-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-methylphenyl)ethanol
CID 114643232
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 114643064
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-dimethylphenyl)ethanol
CID 114643482
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanamine
CID 114648281
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
CID 105132612
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-4-ylpropan-1-ol
CID 105132599

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol (CID 114643059) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol is COCCn1ncc(Cl)c1C(O)Cc1cccc(F)c1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol?
The InChIKey is JQLFISZSUIJZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-20-6-5-18-14(12(15)9-17-18)13(19)8-10-3-2-4-11(16)7-10/h2-4,7,9,13,19H,5-6,8H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol has a molecular weight of 298.75 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 114643059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).