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

C11H11FN2O — CID 39095873

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O/c1-14-6-9(7-15)11(13-14)8-2-4-10(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyKXKVUHDIPFGZGI-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.72
Rot. Bonds2

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

[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol (PubChem CID 39095873) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
PubChem CID39095873
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O/c1-14-6-9(7-15)11(13-14)8-2-4-10(12)5-3-8/h2-6,15H,7H2,1H3
InChIKeyKXKVUHDIPFGZGI-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095867
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 69207008
[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 3793270
3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53033076
[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 39095863
N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
CID 53058883
3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
CID 154672779
[5-(4-fluorophenyl)-3-methylimidazol-4-yl]methanol
CID 10560192
ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol
CID 169264740
[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 69423063
[2-(4-fluorophenyl)-3-pyridinyl]methanol
CID 22158045
3-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carbonitrile
CID 168841681

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol (CID 39095873) is [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol is Cn1cc(CO)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol?
The InChIKey is KXKVUHDIPFGZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-6-9(7-15)11(13-14)8-2-4-10(12)5-3-8/h2-6,15H,7H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol?
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol has a molecular weight of 206.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 39095873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).