3-Amino-1,5-dimethylpyrazole - CAS 35100-92-6

Catalog:	BB022468
Product Name:	3-Amino-1,5-dimethylpyrazole
CAS:	35100-92-6
Synonyms:	1,5-dimethyl-3-pyrazolamine; 1,5-dimethylpyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	1,5-dimethylpyrazol-3-amine
Description:	3-Amino-1,5-dimethylpyrazole (CAS# 35100-92-6) is a useful research chemical.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	CC1=CC(=NN1C)N
InChI:	InChI=1S/C5H9N3/c1-4-3-5(6)7-8(4)2/h3H,1-2H3,(H2,6,7)
InChI Key:	YGRLFMMSIGPOOI-UHFFFAOYSA-N
Boiling Point:	235 °C
Density:	1.17 g/cm³
Appearance:	Solid
MDL:	MFCD04970041
LogP:	0.89190

Publication Number	Title	Priority Date
CN-113087746-A	Palladium tris (biaryl) phosphine complexes and their use	20210331
CN-113200963-A	N- (pyrrolyl) -3-pyrazolylamine and preparation method thereof	20210331
CN-113200968-A	N- (3-thienyl) -3-pyrazolamine and preparation method thereof	20210331
CN-113200977-A	N- (4-thiazolyl) -3-pyrazolamine and preparation method thereof	20210331
US-2021188874-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125

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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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	83.7
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:	0
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3