[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol

C11H11FN2O — CID 84617796

IUPAC[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2cccc(F)c2)cc1CO
InChIInChI=1S/C11H11FN2O/c1-8-9(7-15)6-14(13-8)11-4-2-3-10(12)5-11/h2-6,15H,7H2,1H3
InChIKeyMBLQZNCEPPJIGW-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.81
Rot. Bonds2

About [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol

[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol (PubChem CID 84617796) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
PubChem CID84617796
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2cccc(F)c2)cc1CO
InChIInChI=1S/C11H11FN2O/c1-8-9(7-15)6-14(13-8)11-4-2-3-10(12)5-11/h2-6,15H,7H2,1H3
InChIKeyMBLQZNCEPPJIGW-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol (CID 84617796) is [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol is Cc1nn(-c2cccc(F)c2)cc1CO.
What is the InChIKey of [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol?
The InChIKey is MBLQZNCEPPJIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-9(7-15)6-14(13-8)11-4-2-3-10(12)5-11/h2-6,15H,7H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol?
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol has a molecular weight of 206.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 84617796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).