[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol

C11H11FN2O2 — CID 22224528

IUPAC[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol
SMILESOC(O)c1ccnn1Cc1ccccc1F
InChIInChI=1S/C11H11FN2O2/c12-9-4-2-1-3-8(9)7-14-10(11(15)16)5-6-13-14/h1-6,11,15-16H,7H2
InChIKeyXWNYMLGPQQURES-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.05
Rot. Bonds3

About [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol

[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol (PubChem CID 22224528) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol
PubChem CID22224528
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol
SMILESOC(O)c1ccnn1Cc1ccccc1F
InChIInChI=1S/C11H11FN2O2/c12-9-4-2-1-3-8(9)7-14-10(11(15)16)5-6-13-14/h1-6,11,15-16H,7H2
InChIKeyXWNYMLGPQQURES-UHFFFAOYSA-N
XLogP1.05
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
1-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 118697584
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 99714480
2-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492258
1-[(2-fluorophenyl)methyl]-5-methylsulfonylpyrazole-3-carboxylic acid
CID 118962863
2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331774
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
1-[(2-fluorophenyl)methyl]pyrazole-3,5-dicarboxylate
CID 22224479
N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625158
5-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 56769146

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol?
The IUPAC name of [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol (CID 22224528) is [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol is OC(O)c1ccnn1Cc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol?
The InChIKey is XWNYMLGPQQURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-4-2-1-3-8(9)7-14-10(11(15)16)5-6-13-14/h1-6,11,15-16H,7H2.
What are the key properties of [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol?
[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol has a molecular weight of 222.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol is sourced from PubChem (CID 22224528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).