1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol

C14H16ClFN2O — CID 114633409

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol
SMILESCC(C)n1ncc(Cl)c1C(C)(O)c1ccccc1F
InChIInChI=1S/C14H16ClFN2O/c1-9(2)18-13(11(15)8-17-18)14(3,19)10-6-4-5-7-12(10)16/h4-9,19H,1-3H3
InChIKeyVTVKVWVQQWOAHG-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.51
Rot. Bonds3

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 114633409) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol
PubChem CID114633409
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol
SMILESCC(C)n1ncc(Cl)c1C(C)(O)c1ccccc1F
InChIInChI=1S/C14H16ClFN2O/c1-9(2)18-13(11(15)8-17-18)14(3,19)10-6-4-5-7-12(10)16/h4-9,19H,1-3H3
InChIKeyVTVKVWVQQWOAHG-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol (CID 114633409) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol is CC(C)n1ncc(Cl)c1C(C)(O)c1ccccc1F.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is VTVKVWVQQWOAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-9(2)18-13(11(15)8-17-18)14(3,19)10-6-4-5-7-12(10)16/h4-9,19H,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol has a molecular weight of 282.75 g/mol, XLogP of 3.51, 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-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 114633409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).