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 ℃ at 760 mmHg
Melting Point:	132-137 ℃
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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

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