(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol

C11H10ClFN2O — CID 78941313

IUPAC(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(-n2cc(Cl)cn2)c(F)c1
InChIInChI=1S/C11H10ClFN2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3/t7-/m0/s1
InChIKeyKFKWDNRXISOSDY-ZETCQYMHSA-N
MW240.67 g/mol
LogP2.72
Rot. Bonds2

About (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol

(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol (PubChem CID 78941313) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol
PubChem CID78941313
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(-n2cc(Cl)cn2)c(F)c1
InChIInChI=1S/C11H10ClFN2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3/t7-/m0/s1
InChIKeyKFKWDNRXISOSDY-ZETCQYMHSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol (CID 78941313) is (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(-n2cc(Cl)cn2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol?
The InChIKey is KFKWDNRXISOSDY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol?
(1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol has a molecular weight of 240.67 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78941313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).