[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol

C12H13FN2O — CID 59823782

IUPAC[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol
SMILESCc1cn(Cc2ccccc2F)nc1CO
InChIInChI=1S/C12H13FN2O/c1-9-6-15(14-12(9)8-16)7-10-4-2-3-5-11(10)13/h2-6,16H,7-8H2,1H3
InChIKeyAXZRMLZUFJFNMN-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.87
Rot. Bonds3

About [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol

[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol (PubChem CID 59823782) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol
PubChem CID59823782
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol
SMILESCc1cn(Cc2ccccc2F)nc1CO
InChIInChI=1S/C12H13FN2O/c1-9-6-15(14-12(9)8-16)7-10-4-2-3-5-11(10)13/h2-6,16H,7-8H2,1H3
InChIKeyAXZRMLZUFJFNMN-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol (CID 59823782) is [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol is Cc1cn(Cc2ccccc2F)nc1CO.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol?
The InChIKey is AXZRMLZUFJFNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-6-15(14-12(9)8-16)7-10-4-2-3-5-11(10)13/h2-6,16H,7-8H2,1H3.
What are the key properties of [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol?
[1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol has a molecular weight of 220.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 59823782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).