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

C13H15FN2O2 — CID 114274109

IUPAC(1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol
SMILESCCOc1cnn(-c2ccc([C@H](C)O)cc2F)c1
InChIInChI=1S/C13H15FN2O2/c1-3-18-11-7-15-16(8-11)13-5-4-10(9(2)17)6-12(13)14/h4-9,17H,3H2,1-2H3/t9-/m0/s1
InChIKeyYNVDLAHERXEOCN-VIFPVBQESA-N
MW250.27 g/mol
LogP2.46
Rot. Bonds4

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

(1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol (PubChem CID 114274109) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol
PubChem CID114274109
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol
SMILESCCOc1cnn(-c2ccc([C@H](C)O)cc2F)c1
InChIInChI=1S/C13H15FN2O2/c1-3-18-11-7-15-16(8-11)13-5-4-10(9(2)17)6-12(13)14/h4-9,17H,3H2,1-2H3/t9-/m0/s1
InChIKeyYNVDLAHERXEOCN-VIFPVBQESA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol (CID 114274109) is (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol is CCOc1cnn(-c2ccc([C@H](C)O)cc2F)c1.
What is the InChIKey of (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol?
The InChIKey is YNVDLAHERXEOCN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-18-11-7-15-16(8-11)13-5-4-10(9(2)17)6-12(13)14/h4-9,17H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol?
(1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol has a molecular weight of 250.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-ethoxypyrazol-1-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 114274109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).