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4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline - CAS 1975118-13-8

Catalog:	BB051164
Product Name:	4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
CAS:	1975118-13-8
Synonyms:	Benzenamine, 4-[3-(difluoromethyl)-4-methyl-1H-pyrazol-1-yl]-

Technical Data

Computed Properties

IUPAC Name:	4-[3-(difluoromethyl)-4-methylpyrazol-1-yl]aniline
Molecular Weight:	223.22
Molecular Formula:	C11H11F2N3
Canonical SMILES:	CC1=CN(N=C1C(F)F)C2=CC=C(C=C2)N
InChI:	InChI=1S/C11H11F2N3/c1-7-6-16(15-10(7)11(12)13)9-4-2-8(14)3-5-9/h2-6,11H,14H2,1H3
InChI Key:	AJPZBRNIKFVGDH-UHFFFAOYSA-N
Boiling Point:	360.5±42.0°C (Predicted)
Purity:	≥95%
Density:	1.31±0.1 g/cm3 (Predicted)

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Related Functional Groups

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Fluorinated Building Blocks

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Pyrazoles

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[1946823-77-3]
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[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1855911-19-1]
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Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.09210369
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.09210369
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2