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2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-nitrobenzonitrile

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-nitrobenzonitrile - CAS 955585-07-6

Catalog:	BB047668
Product Name:	2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-nitrobenzonitrile
CAS:	955585-07-6
Synonyms:	2-(3,5-dimethylpyrazolyl)-5-nitrobenzenecarbonitrile

Technical Data

Computed Properties

IUPAC Name:	2-(3,5-dimethylpyrazol-1-yl)-5-nitrobenzonitrile
Description:	2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-nitrobenzonitrile (CAS# 955585-07-6 ) is a useful research chemical.
Molecular Weight:	242.23
Molecular Formula:	C12H10N4O2
Canonical SMILES:	CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C
InChI:	InChI=1S/C12H10N4O2/c1-8-5-9(2)15(14-8)12-4-3-11(16(17)18)6-10(12)7-13/h3-6H,1-2H3
InChI Key:	XLSRSLZQXAFDDJ-UHFFFAOYSA-N
Boiling Point:	413.7±45.0 °C at 760 mmHg
Density:	1.31±0.1 g/cm³

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Related Functional Groups

Arenes

[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[15522-59-5]
Tetrabutylammonium tetraphenylborate
[10442-48-5]
2-(4-Iodophenoxy)propanoic Acid
[81574-05-2]
N-Benzyl-1-methyl-1H-pyrazol-3-amine
[1429417-80-0]
N-Benzyl-1-methyl-4-nitro-1H-pyrazol-3-amine

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Pyrazoles

[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
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride

Complexity:	372
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.08037557
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.08037557
Rotatable Bond Count:	1
Topological Polar Surface Area:	87.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2