2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol

C14H16ClFN2O — CID 55144646

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H16ClFN2O/c1-2-6-18-9-10(8-17-18)14(19)7-11-12(15)4-3-5-13(11)16/h3-5,8-9,14,19H,2,6-7H2,1H3
InChIKeyUVEGLKIZGRWQLE-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.36
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 55144646) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID55144646
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H16ClFN2O/c1-2-6-18-9-10(8-17-18)14(19)7-11-12(15)4-3-5-13(11)16/h3-5,8-9,14,19H,2,6-7H2,1H3
InChIKeyUVEGLKIZGRWQLE-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol (CID 55144646) is 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)Cc2c(F)cccc2Cl)cn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is UVEGLKIZGRWQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-2-6-18-9-10(8-17-18)14(19)7-11-12(15)4-3-5-13(11)16/h3-5,8-9,14,19H,2,6-7H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 282.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 55144646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).