5-Amino-1-phenylpyrazole-4-carbonitrile - CAS 5334-43-0

Catalog:	BB028166
Product Name:	5-Amino-1-phenylpyrazole-4-carbonitrile
CAS:	5334-43-0
Synonyms:	5-amino-1-phenylpyrazole-4-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-1-phenylpyrazole-4-carbonitrile
Description:	Shown to have chemiluminescence activity, antifilarial activity and to possess adenosine receptor affinity.
Molecular Weight:	184.20
Molecular Formula:	C10H8N4
Canonical SMILES:	C1=CC=C(C=C1)N2C(=C(C=N2)C#N)N
InChI:	InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2
InChI Key:	MAKQREKUUHPPIS-UHFFFAOYSA-N
Boiling Point:	402 °C at 760 mmHg
Melting Point:	132-137 °C
Purity:	98 %
Density:	1.26 g/cm³
Appearance:	Off-white powder
MDL:	MFCD00020730
LogP:	1.90738

Publication Number	Title	Priority Date
WO-2021156774-A1	Combination therapy for treating mps1	20200203
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
CN-108473481-A	It can be used as the compound of kinase inhibitor	20151216
KR-20180115261-A	Compound useful as a kinase inhibitor	20151216
US-10336731-B2	Substituted 1H-indole-2-carboxamide compounds as indoleamine-2,3-dioxygenase inhibitors	20150916

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[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

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.074896272
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.074896272
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8