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1-[5-Cyclopropyl-3-(trifluoromethyl)pyrazolyl]acetone

1-[5-Cyclopropyl-3-(trifluoromethyl)pyrazolyl]acetone - CAS 1170473-17-2

Catalog:	BB052941
Product Name:	1-[5-Cyclopropyl-3-(trifluoromethyl)pyrazolyl]acetone
CAS:	1170473-17-2
Synonyms:	1-(5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one

Technical Data

Computed Properties

IUPAC Name:	1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
Molecular Weight:	232.2
Molecular Formula:	C10H11F3N2O
Canonical SMILES:	CC(=O)CN1C(=CC(=N1)C(F)(F)F)C2CC2
InChI:	InChI=1S/C10H11F3N2O/c1-6(16)5-15-8(7-2-3-7)4-9(14-15)10(11,12)13/h4,7H,2-3,5H2,1H3
InChI Key:	CEOHCOYTMHLYST-UHFFFAOYSA-N
Boiling Point:	279.5±40.0 °C at 760 mmHg
Purity:	95%
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]
1-Chlorohexadecane
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[452-76-6]
2,4-Difluorotoluene
[856848-33-4]
2-Amino-4,5-dibromopyridine

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.08234746
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.08234746
Rotatable Bond Count:	3
Topological Polar Surface Area:	34.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6