CID 135645603 - CAS 832737-72-1

Catalog:	BB045936
Product Name:	CID 135645603
CAS:	832737-72-1
Synonyms:	5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroine-2-carbohydrazide

Technical Data

Computed Properties

IUPAC Name:	5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide
Description:	CID 135645603 (CAS# 832737-72-1 ) is a useful research chemical.
Molecular Weight:	353.34
Molecular Formula:	C16H18F3N5O
Canonical SMILES:	CC1=C(C=C(C=C1)C2CC(N3C(=CC(=N3)C(=O)NN)N2)C(F)(F)F)C
InChI:	InChI=1S/C16H18F3N5O/c1-8-3-4-10(5-9(8)2)11-6-13(16(17,18)19)24-14(21-11)7-12(23-24)15(25)22-20/h3-5,7,11,13,21H,6,20H2,1-2H3,(H,22,25)
InChI Key:	XUSNXVXTMCSOAW-UHFFFAOYSA-N
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Amines and Anilines

[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[856848-33-4]
2-Amino-4,5-dibromopyridine

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]
1-Chlorohexadecane
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Complexity:	503
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	353.1463447
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	353.1463447
Rotatable Bond Count:	2
Topological Polar Surface Area:	85
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9