3-(Aminomethyl)-1,5-dimethylpyrazole - CAS 423768-52-9

Catalog:	BB025120
Product Name:	3-(Aminomethyl)-1,5-dimethylpyrazole
CAS:	423768-52-9
Synonyms:	(1,5-dimethyl-3-pyrazolyl)methanamine; (1,5-dimethylpyrazol-3-yl)methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1,5-dimethylpyrazol-3-yl)methanamine
Description:	3-(Aminomethyl)-1,5-dimethylpyrazole (CAS# 423768-52-9) is a useful research chemical.
Molecular Weight:	125.17
Molecular Formula:	C6H11N3
Canonical SMILES:	CC1=CC(=NN1C)CN
InChI:	InChI=1S/C6H11N3/c1-5-3-6(4-7)8-9(5)2/h3H,4,7H2,1-2H3
InChI Key:	JGYXJOBBROGMLL-UHFFFAOYSA-N
Boiling Point:	94 °C
Density:	1.12 g/cm³
Appearance:	Colorless liquid
LogP:	0.88750

Publication Number	Title	Priority Date
WO-2021072156-A1	Oral complement factor d inhibitors	20191009
EP-3490986-A1	Piperidine cxcr7 receptor modulators	20160728
US-2019169180-A1	Piperdine cxcr7 receptor modulators	20160728
WO-2018019929-A1	Piperidine cxcr7 receptor modulators	20160728
US-10752620-B2	Piperdine CXCR7 receptor modulators	20160728

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Related Functional Groups

Amines and Anilines

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[1184994-08-8]
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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.095297364
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5