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

C11H9F3N2O — CID 141329911

IUPAC[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-5-9(15-16-10)8-3-1-2-7(4-8)6-17/h1-5,17H,6H2,(H,15,16)
InChIKeyJVSSDWKMXKJTHR-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.59
Rot. Bonds2

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

[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol (PubChem CID 141329911) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
PubChem CID141329911
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-5-9(15-16-10)8-3-1-2-7(4-8)6-17/h1-5,17H,6H2,(H,15,16)
InChIKeyJVSSDWKMXKJTHR-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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Frequently Asked Questions

What is the IUPAC name of [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
The IUPAC name of [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol (CID 141329911) is [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol is OCc1cccc(-c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
The InChIKey is JVSSDWKMXKJTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-5-9(15-16-10)8-3-1-2-7(4-8)6-17/h1-5,17H,6H2,(H,15,16).
What are the key properties of [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol?
[3-[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 [3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol is sourced from PubChem (CID 141329911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).