3-m-Tolyl-1H-pyrazol-5-amine - CAS 80568-96-3

Catalog:	BB036526
Product Name:	3-m-Tolyl-1H-pyrazol-5-amine
CAS:	80568-96-3
Synonyms:	5-(3-methylphenyl)-1H-pyrazol-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(3-methylphenyl)-1H-pyrazol-3-amine
Description:	3-m-Tolyl-1H-pyrazol-5-amine (CAS# 80568-96-3) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C10H11N3
Canonical SMILES:	CC1=CC=CC(=C1)C2=CC(=NN2)N
InChI:	InChI=1S/C10H11N3/c1-7-3-2-4-8(5-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
InChI Key:	KRRSPSCILJPKSA-UHFFFAOYSA-N
Boiling Point:	430.2 °C at 760 mmHg
Purity:	97+ %
Density:	1.196 g/cm³
MDL:	MFCD02664271
LogP:	2.54850

Publication Number	Title	Priority Date
CN-112876482-A	Polysubstituted heterocyclic derivative, preparation method and medical application thereof	20201231
WO-2021146192-A1	Substituted pyrazolo-pyrimidines and uses thereof	20200113
US-2013053341-A1	Therapeutic compounds and related methods of use	20091231
US-2015307477-A1	Therapeutic compounds and related methods of use	20091231
US-2017217923-A1	Therapeutic compounds and related methods of use	20091231

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Related Functional Groups

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431964-06-5]
3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride
[1431964-45-2]
3-[(4-Aminopyrazol-1-yl)methyl]benzoic acid hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.095297364
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.095297364
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9