(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone

C12H9F3N2O2 — CID 65195644

IUPAC(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCn1ccc(C(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H9F3N2O2/c1-17-6-5-10(16-17)11(18)8-3-2-4-9(7-8)19-12(13,14)15/h2-7H,1H3
InChIKeyFRRKHZKXWJBFTL-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.55
Rot. Bonds3

About (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone

(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 65195644) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID65195644
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCn1ccc(C(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H9F3N2O2/c1-17-6-5-10(16-17)11(18)8-3-2-4-9(7-8)19-12(13,14)15/h2-7H,1H3
InChIKeyFRRKHZKXWJBFTL-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 102949952
(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone
CID 116543263
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
1,3,7-trimethyl-8-[3-(trifluoromethoxy)benzoyl]purine-2,6-dione
CID 162570462
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 22079253

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone (CID 65195644) is (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone is Cn1ccc(C(=O)c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is FRRKHZKXWJBFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-17-6-5-10(16-17)11(18)8-3-2-4-9(7-8)19-12(13,14)15/h2-7H,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone?
(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 270.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 65195644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).