5-Amino-1-methylpyrazole-4-carbonitrile - CAS 5334-41-8

Name: 5-Amino-1-methylpyrazole-4-carbonitrile
Brand: BOC Sciences
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Catalog:	BB028165
Product Name:	5-Amino-1-methylpyrazole-4-carbonitrile
CAS:	5334-41-8
Synonyms:	5-amino-1-methyl-4-pyrazolecarbonitrile; 5-amino-1-methylpyrazole-4-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-1-methylpyrazole-4-carbonitrile
Description:	5-Amino-1-methylpyrazole-4-carbonitrile (CAS# 5334-41-8) is a compound useful in organic synthesis.
Molecular Weight:	122.13
Molecular Formula:	C5H6N4
Canonical SMILES:	CN1C(=C(C=N1)C#N)N
InChI:	InChI=1S/C5H6N4/c1-9-5(7)4(2-6)3-8-9/h3H,7H2,1H3
InChI Key:	MZFBWODPTSTYAI-UHFFFAOYSA-N
Boiling Point:	342.4 °C at 760 mmHg
Density:	1.32 g/cm³
MDL:	MFCD00114569
LogP:	0.45518

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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

Publication Number	Title	Priority Date
CN-112079838-A	Heat-resistant explosive material and preparation method thereof	20200927
WO-2021156774-A1	Combination therapy for treating mps1	20200203
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
WO-2020161208-A1	Herbicidal fused pyridazine compounds	20190206
WO-2020161209-A1	Herbicidal fused pyridazine compounds	20190206

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.059246208
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2