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

[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol - CAS 1946823-77-3

Catalog:	BB050998
Product Name:	[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CAS:	1946823-77-3
Synonyms:	1H-Pyrazole-5-methanol, 1,4-dimethyl-3-(trifluoromethyl)-

Technical Data

Computed Properties

IUPAC Name:	[2,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
Molecular Weight:	194.15
Molecular Formula:	C7H9F3N2O
Canonical SMILES:	CC1=C(N(N=C1C(F)(F)F)C)CO
InChI:	InChI=1S/C7H9F3N2O/c1-4-5(3-13)12(2)11-6(4)7(8,9)10/h13H,3H2,1-2H3
InChI Key:	GAHDWDQMFLIMBW-UHFFFAOYSA-N
Boiling Point:	243.6±35.0°C (Predicted)
Purity:	≥95%
Density:	1.36±0.1 g/cm3 (Predicted)

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Related Functional Groups

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Fluorinated Building Blocks

[1427357-61-6]
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[1946823-77-3]
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Pyrazoles

[959574-98-2]
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[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]
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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0666974
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.0666974
Rotatable Bond Count:	1
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7