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4'-Chloro-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

4'-Chloro-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole - CAS 1240119-13-4

Catalog:	BB047347
Product Name:	4'-Chloro-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
CAS:	1240119-13-4
Synonyms:	4-[4-chloro-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-1-methylpyrazole

Technical Data

Computed Properties

IUPAC Name:	4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole
Description:	4'-Chloro-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole (CAS# 1240119-13-4 ) is a useful research chemical.
Molecular Weight:	262.70
Molecular Formula:	C11H11ClN6
Canonical SMILES:	CN1C=C(C=N1)C2=C(C(=NN2)C3=CN(N=C3)C)Cl
InChI:	InChI=1S/C11H11ClN6/c1-17-5-7(3-13-17)10-9(12)11(16-15-10)8-4-14-18(2)6-8/h3-6H,1-2H3,(H,15,16)
InChI Key:	PQBCQYAZEFSCBB-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl 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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[111-85-3]
1-Chlorooctane
[98447-30-4]
2-Bromo-4-methoxynitrobenzene
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.0733721
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	262.0733721
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8