5-(Aminomethyl)-1-methylpyrazole - CAS 863548-52-1

Catalog:	BB037898
Product Name:	5-(Aminomethyl)-1-methylpyrazole
CAS:	863548-52-1
Synonyms:	(2-methyl-3-pyrazolyl)methanamine; (2-methylpyrazol-3-yl)methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-methylpyrazol-3-yl)methanamine
Description:	5-(Aminomethyl)-1-methylpyrazole (CAS# 863548-52-1) is used as a reactant in the preparation of potent and orally bioavailable GPR142 agonists as novel insulin secretagogues for the treatment of type 2 diabetes.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	CN1C(=CC=N1)CN
InChI:	InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3
InChI Key:	XNTFQMKXUFFUQO-UHFFFAOYSA-N
Boiling Point:	220 °C
Density:	1.16 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD03419808
LogP:	0.57910

Publication Number	Title	Priority Date
WO-2021152149-A1	Ras inhibitors and methods of using the same	20200131
WO-2021035101-A1	Molecules that bind to tdp-43 for the treatment of amyotrophic lateral sclerosis and related disorders	20190822
US-2021047287-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
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Related Functional Groups

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic 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
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

GHS Hazard Statement:	H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.079647300
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.079647300
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9