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2-[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethanol

2-[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethanol - CAS 1946828-53-0

Catalog:	BB051050
Product Name:	2-[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethanol
CAS:	1946828-53-0
Synonyms:	1H-Pyrazole-1-ethanol, 3-(difluoromethyl)-5-methyl-

Technical Data

Computed Properties

IUPAC Name:	2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]ethanol
Molecular Weight:	176.16
Molecular Formula:	C7H10F2N2O
Canonical SMILES:	CC1=CC(=NN1CCO)C(F)F
InChI:	InChI=1S/C7H10F2N2O/c1-5-4-6(7(8)9)10-11(5)2-3-12/h4,7,12H,2-3H2,1H3
InChI Key:	ZBOBWCPHTZIWNJ-UHFFFAOYSA-N
Boiling Point:	268.3±40.0°C (Predicted)
Purity:	≥95%
Density:	1.31±0.1 g/cm3 (Predicted)

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Related Functional Groups

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[5272-36-6]
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[1017184-54-1]
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Fluorinated Building Blocks

[1006473-17-1]
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[1946823-77-3]
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[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[865774-78-3]
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[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1597-32-6]
2-Amino-6-fluoropyridine

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.07611927
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.07611927
Rotatable Bond Count:	3
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5