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1-(2-Methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1-(2-Methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - CAS 2223047-52-5

Catalog:	BB052139
Product Name:	1-(2-Methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS:	2223047-52-5
Synonyms:	1-Isobutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1H-Pyrazole, 1-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-

Technical Data

Computed Properties

IUPAC Name:	1-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Molecular Weight:	250.15
Molecular Formula:	C13H23BN2O2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)CC(C)C
InChI:	InChI=1S/C13H23BN2O2/c1-10(2)9-16-8-7-11(15-16)14-17-12(3,4)13(5,6)18-14/h7-8,10H,9H2,1-6H3
InChI Key:	OPNPCVUKFYMRJM-UHFFFAOYSA-N

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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
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Oxygen Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric 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
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.1852581
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.1852581
Rotatable Bond Count:	3
Topological Polar Surface Area:	36.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0