[2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol

C12H13FN2O — CID 139540175

IUPAC[2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol
SMILESCn1cc(Cc2ccc(CO)c(F)c2)cn1
InChIInChI=1S/C12H13FN2O/c1-15-7-10(6-14-15)4-9-2-3-11(8-16)12(13)5-9/h2-3,5-7,16H,4,8H2,1H3
InChIKeyMBLSSTWTSWCSBT-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.64
Rot. Bonds3

About [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol

[2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol (PubChem CID 139540175) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol
PubChem CID139540175
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name[2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol
SMILESCn1cc(Cc2ccc(CO)c(F)c2)cn1
InChIInChI=1S/C12H13FN2O/c1-15-7-10(6-14-15)4-9-2-3-11(8-16)12(13)5-9/h2-3,5-7,16H,4,8H2,1H3
InChIKeyMBLSSTWTSWCSBT-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol?
The IUPAC name of [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol (CID 139540175) is [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol is Cn1cc(Cc2ccc(CO)c(F)c2)cn1.
What is the InChIKey of [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol?
The InChIKey is MBLSSTWTSWCSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15-7-10(6-14-15)4-9-2-3-11(8-16)12(13)5-9/h2-3,5-7,16H,4,8H2,1H3.
What are the key properties of [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol?
[2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol has a molecular weight of 220.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[(1-methylpyrazol-4-yl)methyl]phenyl]methanol is sourced from PubChem (CID 139540175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).