[3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol

C12H13FN2O2 — CID 67167969

IUPAC[3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol
SMILESCOCc1[nH]nc(-c2ccccc2F)c1CO
InChIInChI=1S/C12H13FN2O2/c1-17-7-11-9(6-16)12(15-14-11)8-4-2-3-5-10(8)13/h2-5,16H,6-7H2,1H3,(H,14,15)
InChIKeyQMMLESHXUOHTOK-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.85
Rot. Bonds4

About [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol

[3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 67167969) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol
PubChem CID67167969
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name[3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol
SMILESCOCc1[nH]nc(-c2ccccc2F)c1CO
InChIInChI=1S/C12H13FN2O2/c1-17-7-11-9(6-16)12(15-14-11)8-4-2-3-5-10(8)13/h2-5,16H,6-7H2,1H3,(H,14,15)
InChIKeyQMMLESHXUOHTOK-UHFFFAOYSA-N
XLogP1.85
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-4-phenyl-1H-pyrazol-5-amine
CID 6456680
[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]methanol
CID 54847133
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-phenyl-1H-pyrazol-5-yl)oxane-3,4,5-triol
CID 127028135
1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155544554
5-Phenyl-1H-pyrazole-3-methanol
CID 11389680
1-(3-Phenyl-1h-Pyrazol-5-Yl)cyclopentanol
CID 91754982
5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
CID 81174511
5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932623
5-(1,3-dioxan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932702
4-Phenyl-1H-pyrazole-3,5-dimethanol
CID 3616748
Phenyl hydroxymethylpyrazole
CID 22477654

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol (CID 67167969) is [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol is COCc1[nH]nc(-c2ccccc2F)c1CO.
What is the InChIKey of [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is QMMLESHXUOHTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-17-7-11-9(6-16)12(15-14-11)8-4-2-3-5-10(8)13/h2-5,16H,6-7H2,1H3,(H,14,15).
What are the key properties of [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol?
[3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 236.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 67167969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).