1-(3-Iodo-1-isopropyl-4-pyrazolyl)ethanone - CAS 1269440-49-4

Name: 1-(3-Iodo-1-isopropyl-4-pyrazolyl)ethanone
Brand: BOC Sciences
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Catalog:	BB006709
Product Name:	1-(3-Iodo-1-isopropyl-4-pyrazolyl)ethanone
CAS:	1269440-49-4
Synonyms:	1-(3-iodo-1-propan-2-yl-4-pyrazolyl)ethanone; 1-(3-iodo-1-propan-2-ylpyrazol-4-yl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(3-iodo-1-propan-2-ylpyrazol-4-yl)ethanone
Description:	1-(3-Iodo-1-isopropyl-4-pyrazolyl)ethanone (CAS# 1269440-49-4 ) is a useful research chemical.
Molecular Weight:	278.09
Molecular Formula:	C8H11IN2O
Canonical SMILES:	CC(C)N1C=C(C(=N1)I)C(=O)C
InChI:	InChI=1S/C8H11IN2O/c1-5(2)11-4-7(6(3)12)8(9)10-11/h4-5H,1-3H3
InChI Key:	ALVXXWPPAVGXHP-UHFFFAOYSA-N
LogP:	2.27120

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
TW-201209050-A	Compounds and compositions as protein kinase inhibitors	20100827
TW-I480276-B	Compounds and compositions as protein kinase inhibitors	20100827
AU-2010286569-A1	Compounds and compositions as protein kinase inhibitors	20090828
AU-2010286569-B2	Compounds and compositions as protein kinase inhibitors	20090828
AU-2010286569-C1	Compounds and compositions as protein kinase inhibitors	20090828

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.99161
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.99161
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3