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

C11H9F3N2O — CID 142636989

IUPAC[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-8(6-17)9(15-16-10)7-4-2-1-3-5-7/h1-5,17H,6H2,(H,15,16)
InChIKeySETOUGLQBGFMEO-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.59
Rot. Bonds2

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

[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 142636989) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID142636989
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-8(6-17)9(15-16-10)7-4-2-1-3-5-7/h1-5,17H,6H2,(H,15,16)
InChIKeySETOUGLQBGFMEO-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-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
CID 2805406
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426
1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155544554
5-Phenyl-1H-pyrazole-3-methanol
CID 11389680
4-Phenyl-1H-pyrazole-3,5-dimethanol
CID 3616748
Phenyl hydroxymethylpyrazole
CID 22477654
(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 95165425
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 15626653
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanol
CID 49756939
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol
CID 56992501
[5-(4-Trifluoromethyl-phenyl)-1H-pyrazol-3-yl]-methanol
CID 65710565
[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methanol
CID 65717007

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 142636989) is [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is OCc1c(-c2ccccc2)n[nH]c1C(F)(F)F.
What is the InChIKey of [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is SETOUGLQBGFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-8(6-17)9(15-16-10)7-4-2-1-3-5-7/h1-5,17H,6H2,(H,15,16).
What are the key properties of [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]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 [3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 142636989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).