[3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol

C11H10F2N2O — CID 141167927

IUPAC[3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N2O/c1-15-5-8(6-16)11(14-15)7-2-9(12)4-10(13)3-7/h2-5,16H,6H2,1H3
InChIKeyQILUAZMYFBVJJE-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.86
Rot. Bonds2

About [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol

[3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol (PubChem CID 141167927) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol
PubChem CID141167927
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name[3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N2O/c1-15-5-8(6-16)11(14-15)7-2-9(12)4-10(13)3-7/h2-5,16H,6H2,1H3
InChIKeyQILUAZMYFBVJJE-UHFFFAOYSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
[1-(4-Fluorophenyl)-5-Methyl-1H-Pyrazol-4-Yl]Methanol
CID 2780717
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
CID 3756816
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-ethanol
CID 3838438
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175
(1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3859567
3-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 43141375
4-[5-(Hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
CID 145962664
1-(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-3-phenyl-1-propanol
CID 16190683
(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol
CID 2876247
(1-Benzyl-5-methyl-1h-pyrazol-4-yl)methanol
CID 66437900

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol?
The IUPAC name of [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol (CID 141167927) is [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol is Cn1cc(CO)c(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol?
The InChIKey is QILUAZMYFBVJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-15-5-8(6-16)11(14-15)7-2-9(12)4-10(13)3-7/h2-5,16H,6H2,1H3.
What are the key properties of [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol?
[3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol has a molecular weight of 224.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 141167927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).