(2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone

C11H7F3N2O2 — CID 16762722

IUPAC(2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccccc1O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)10-7(5-15-16-10)9(18)6-3-1-2-4-8(6)17/h1-5,17H,(H,15,16)
InChIKeyWJDAVZRQEJBKSH-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.37
Rot. Bonds2

About (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone

(2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone (PubChem CID 16762722) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
PubChem CID16762722
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name(2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccccc1O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)10-7(5-15-16-10)9(18)6-3-1-2-4-8(6)17/h1-5,17H,(H,15,16)
InChIKeyWJDAVZRQEJBKSH-UHFFFAOYSA-N
XLogP2.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl](2-methylphenyl)methanone
CID 921747
(3-fluorophenyl)[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1418641
(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)(o-tolyl)methanone
CID 886169
(4-fluorophenyl)(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)methanone
CID 659733
(5-Fluoro-2-hydroxyphenyl)(1H-pyrazol-4-yl)methanone
CID 2400746
[3-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl](3-methylphenyl)methanone
CID 851666
[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl](3-methylphenyl)methanone
CID 1418584
3-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3160166
[3-(2-Hydroxy-phenyl)-1H-pyrazol-4-yl]-p-tolyl-methanone
CID 921576
(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)(phenyl)methanone
CID 921855
(4-tert-butylphenyl)[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
CID 1877085
2-Hydroxy-5-(1H-pyrazol-3-yl)benzoic acid
CID 136302325

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone (CID 16762722) is (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone is O=C(c1ccccc1O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is WJDAVZRQEJBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)10-7(5-15-16-10)9(18)6-3-1-2-4-8(6)17/h1-5,17H,(H,15,16).
What are the key properties of (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
(2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 256.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 16762722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).