2-Phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one - CAS 29211-43-6

Name: 2-Phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB042724
Product Name:	2-Phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
CAS:	29211-43-6
Synonyms:	1-Phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one; 1-Phenyl-3-propyl-2-pyrazolin-5-one

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-phenyl-5-propyl-4H-pyrazol-3-one
Description:	2-Phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one (CAS# 29211-43-6 ) is a useful research chemical.
Molecular Weight:	202.25
Molecular Formula:	C12H14N2O
Canonical SMILES:	CCCC1=NN(C(=O)C1)C2=CC=CC=C2
InChI:	InChI=1S/C12H14N2O/c1-2-6-10-9-12(15)14(13-10)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9H2,1H3
InChI Key:	DXQSVRLYPGKQNS-UHFFFAOYSA-N

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Related Functional Groups

Pyrazoles

[890092-87-2]C9H12N2O3
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole

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:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.110613074
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.110613074
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1