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1-(4-Chlorobenzyl)-5-methyl-3-nitro-1H-pyrazole

1-(4-Chlorobenzyl)-5-methyl-3-nitro-1H-pyrazole - CAS 1001510-38-8

Catalog:	BB049446
Product Name:	1-(4-Chlorobenzyl)-5-methyl-3-nitro-1H-pyrazole
CAS:	1001510-38-8
Synonyms:	1-(4-Chloro-benzyl)-5-methyl-3-nitro-1H-pyrazole

Technical Data

Computed Properties

IUPAC Name:	1-[(4-chlorophenyl)methyl]-5-methyl-3-nitropyrazole
Description:	1-(4-Chlorobenzyl)-5-methyl-3-nitro-1H-pyrazole (CAS# 1001510-38-8 ) is a useful research chemical.
Molecular Weight:	251.67
Molecular Formula:	C11H10ClN3O2
Canonical SMILES:	CC1=CC(=NN1CC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C11H10ClN3O2/c1-8-6-11(15(16)17)13-14(8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
InChI Key:	DLRKKRKCFBGWHK-UHFFFAOYSA-N
Boiling Point:	419.9±40.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

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Related Functional Groups

Halides

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[111-85-3]
1-Chlorooctane
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-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

Pyrazoles

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[478968-51-3]
3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
[1006495-38-0]
4-(4-Chloro-5-methyl-1H-pyrazol-1-yl)butanoic acid

Complexity:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.0461543
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.0461543
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3