4-Amino-1,3,5-trimethyl-1H-pyrazole - CAS 28466-21-9

Catalog:	BB019859
Product Name:	4-Amino-1,3,5-trimethyl-1H-pyrazole
CAS:	28466-21-9
Synonyms:	1,3,5-trimethyl-4-pyrazolamine; 1,3,5-trimethylpyrazol-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,3,5-trimethylpyrazol-4-amine
Description:	4-Amino-1,3,5-trimethyl-1H-pyrazole (CAS# 28466-21-9) is a useful research chemical.
Molecular Weight:	125.17
Molecular Formula:	C6H11N3
Canonical SMILES:	CC1=C(C(=NN1C)C)N
InChI:	InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3
InChI Key:	SSDGMKHZMNTWLS-UHFFFAOYSA-N
Boiling Point:	236.3 °C at 760 mmHg
Density:	1.13 g/cm³
Solubility:	Insoluble in water
Appearance:	White crystalline powder
MDL:	MFCD00052883
LogP:	1.20030

Publication Number	Title	Priority Date
EP-3901151-A1	Halogenated-heteroaryl and other heterocyclic kinase inhibitors, and uses thereof	20200421
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021030165-A1	"trpswitch" âˆ' a step function chemo-optogenetic ligand	20190809
US-2020354373-A1	Hsp90 inhibitors and uses thereof	20190508
WO-2020227368-A1	Hsp90 inhibitors and uses thereof	20190508

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.095297364
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4