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5-Amino-3-methyl-1H-pyrazole-4-carbonitrile

5-Amino-3-methyl-1H-pyrazole-4-carbonitrile - CAS 5453-07-6

Catalog:	BB028708
Product Name:	5-Amino-3-methyl-1H-pyrazole-4-carbonitrile
CAS:	5453-07-6
Synonyms:	3-amino-5-methyl-1H-pyrazole-4-carbonitrile; 3-amino-5-methyl-1H-pyrazole-4-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-amino-5-methyl-1H-pyrazole-4-carbonitrile
Description:	5-Amino-3-methyl-1H-pyrazole-4-carbonitrile (CAS# 5453-07-6) is a useful research chemical.
Molecular Weight:	122.13
Molecular Formula:	C5H6N4
Canonical SMILES:	CC1=C(C(=NN1)N)C#N
InChI:	InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
InChI Key:	CRRHJAMDQMQGKG-UHFFFAOYSA-N
Boiling Point:	429.4 °C at 760 mmHg
Density:	1.32 g/cm³
MDL:	MFCD02020550
LogP:	0.75318

Publication Number	Title	Priority Date
KR-102032418-B1	Fused-pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Bruton's tyrosine kinase activity related diseases containing the same as an active ingredient	20170615
KR-20180137057-A	Fused-pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Bruton's tyrosine kinase activity related diseases containing the same as an active ingredient	20170615
US-2019382406-A1	Atg7 inhibitors and the uses thereof	20161111
WO-2018089786-A1	Atg7 inhibitors and the uses thereof	20161111
US-10865208-B2	ATG7 inhibitors and the uses thereof	20161111

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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GHS Hazard Statement:	H302+H312+H332 (98.9%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.059246208
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	122.059246208
Rotatable Bond Count:	0
Topological Polar Surface Area:	78.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5