N-(4-Bromo-1-methyl-5-pyrazolyl)pivalamide - CAS 679394-11-7

Catalog:	BB033443
Product Name:	N-(4-Bromo-1-methyl-5-pyrazolyl)pivalamide
CAS:	679394-11-7
Synonyms:	N-(4-bromo-2-methyl-3-pyrazolyl)-2,2-dimethylpropanamide; N-(4-bromo-2-methylpyrazol-3-yl)-2,2-dimethylpropanamide

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	N-(4-bromo-2-methylpyrazol-3-yl)-2,2-dimethylpropanamide
Description:	N-(4-Bromo-1-methyl-5-pyrazolyl)pivalamide (CAS# 679394-11-7) is a useful research chemical compound.
Molecular Weight:	260.13
Molecular Formula:	C9H14BrN3O
Canonical SMILES:	CC(C)(C)C(=O)NC1=C(C=NN1C)Br
InChI:	InChI=1S/C9H14BrN3O/c1-9(2,3)8(14)12-7-6(10)5-11-13(7)4/h5H,1-4H3,(H,12,14)
InChI Key:	JPZOLCXLKKHBHT-UHFFFAOYSA-N
MDL:	MFCD01763678
LogP:	2.24020

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.03202
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	259.03202
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8