(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine - CAS 518064-16-9

Name: (3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027607
Product Name:	(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CAS:	518064-16-9
Synonyms:	(3,5-dimethyl-1H-pyrazol-4-yl)methanamine; (3,5-dimethyl-1H-pyrazol-4-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(3,5-dimethyl-1H-pyrazol-4-yl)methanamine
Description:	[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]amine can be used as EP3 receptor antagonists.
Molecular Weight:	125.17
Molecular Formula:	C6H11N3
Canonical SMILES:	CC1=C(C(=NN1)C)CN
InChI:	InChI=1S/C6H11N3/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3,(H,8,9)
InChI Key:	YJVZLKBKPGYLJW-UHFFFAOYSA-N
Boiling Point:	298.9 °C at 760 mmHg
Density:	1.102 g/cm³
LogP:	2.78950

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Related Functional Groups

Amines and Anilines

[556-90-1]C3H4N2OS
Pseudothiohydantoin
[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1824357-78-9]C12H15N3
2-(1-Benzyl-3-pyrazolyl)ethylamine
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[1431966-58-3]C8H18Cl2F2N2O
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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Publication Number	Title	Priority Date
EP-3380469-A1	Bicyclic bet bromodomain inhibitors and uses thereof	20151125
US-2018305344-A1	Bicyclic bet bromodomain inhibitors and uses thereof	20151125
WO-2017091661-A1	Bicyclic bet bromodomain inhibitors and uses thereof	20151125
US-2020223836-A1	Small molecule bet bromodomain inhibitors and uses thereof	20151125
US-11028079-B2	Small molecule BET bromodomain inhibitors and uses thereof	20151125

Complexity:	94.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.095297364
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	125.095297364
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1