4-(Aminomethyl)-3-(trifluoromethyl)pyrazole - CAS 1525641-12-6

Catalog:	BB010797
Product Name:	4-(Aminomethyl)-3-(trifluoromethyl)pyrazole
CAS:	1525641-12-6
Synonyms:	[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine; [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

Technical Data

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Computed Properties

IUPAC Name:	[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
Description:	4-(Aminomethyl)-3-(trifluoromethyl)pyrazole (CAS# 1525641-12-6) is a useful research chemical.
Molecular Weight:	165.12
Molecular Formula:	C5H6F3N3
Canonical SMILES:	C1=NNC(=C1CN)C(F)(F)F
InChI:	InChI=1S/C5H6F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,1,9H2,(H,10,11)
InChI Key:	CLPPCPIPIUXYDE-UHFFFAOYSA-N
LogP:	1.58750

Publication Number	Title	Priority Date
WO-2020109191-A1	Aryl compounds for the treatment and prophylaxis of bacterial infection	20181127
CN-113166144-A	Aryl compounds for the treatment and prevention of bacterial infections	20181127
EP-3887371-A1	Aryl compounds for the treatment and prophylaxis of bacterial infection	20181127
US-2021309658-A1	Aryl compounds for the treatment and prophylaxis of bacterial infection	20181127
EP-3601282-A1	Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection	20170330

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Related Functional Groups

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.05138169
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.05138169
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0