1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol

C12H13FN2O2 — CID 109411608

IUPAC1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(F)cc1)Cn1cccn1
InChIInChI=1S/C12H13FN2O2/c13-10-2-4-12(5-3-10)17-9-11(16)8-15-7-1-6-14-15/h1-7,11,16H,8-9H2
InChIKeyIZFIEARQKOAMSF-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.46
Rot. Bonds5

About 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol

1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 109411608) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
PubChem CID109411608
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(F)cc1)Cn1cccn1
InChIInChI=1S/C12H13FN2O2/c13-10-2-4-12(5-3-10)17-9-11(16)8-15-7-1-6-14-15/h1-7,11,16H,8-9H2
InChIKeyIZFIEARQKOAMSF-UHFFFAOYSA-N
XLogP1.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol
CID 167915136
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020565
1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
CID 109411614
(2S)-1-(3-nitrophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 97327143
(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81347331
1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411596
(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
CID 171439964
1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 109411962
1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol (CID 109411608) is 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol is OC(COc1ccc(F)cc1)Cn1cccn1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is IZFIEARQKOAMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-10-2-4-12(5-3-10)17-9-11(16)8-15-7-1-6-14-15/h1-7,11,16H,8-9H2.
What are the key properties of 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 236.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 109411608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).