[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol

C11H9F3N2O — CID 142636961

IUPAC[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-5-9(15-16-10)8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H,15,16)
InChIKeyKEUAWBJETQYUQA-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.59
Rot. Bonds2

About [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol

[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol (PubChem CID 142636961) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
PubChem CID142636961
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-5-9(15-16-10)8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H,15,16)
InChIKeyKEUAWBJETQYUQA-UHFFFAOYSA-N
XLogP2.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-propoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142669971
1-[3-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]ethanone
CID 59151491
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole
CID 164522408
5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole
CID 12640729
1,1-bis[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine;dihydrochloride
CID 68667830
2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314749
methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate
CID 136609734
3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167975582
N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane
CID 143534021
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
CID 134543887
4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
CID 155903294

Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol (CID 142636961) is [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol is OCc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1.
What is the InChIKey of [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
The InChIKey is KEUAWBJETQYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-5-9(15-16-10)8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H,15,16).
What are the key properties of [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol has a molecular weight of 242.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol is sourced from PubChem (CID 142636961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).