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8-(Trifluoromethyl)-6,7-Dihydro-5H-Cyclopenta[D]Pyrazolo[1,5-A]Pyrimidine-2-Carboxylic Acid

8-(Trifluoromethyl)-6,7-Dihydro-5H-Cyclopenta[D]Pyrazolo[1,5-A]Pyrimidine-2-Carboxylic Acid - CAS 505054-58-0

Catalog:	BB053350
Product Name:	8-(Trifluoromethyl)-6,7-Dihydro-5H-Cyclopenta[D]Pyrazolo[1,5-A]Pyrimidine-2-Carboxylic Acid
CAS:	505054-58-0
Synonyms:	8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid
Molecular Weight:	271.19
Molecular Formula:	C11H8F3N3O2
Canonical SMILES:	C1CC2=C(N3C(=CC(=N3)C(=O)O)N=C2C1)C(F)(F)F
InChI:	InChI=1S/C11H8F3N3O2/c12-11(13,14)9-5-2-1-3-6(5)15-8-4-7(10(18)19)16-17(8)9/h4H,1-3H2,(H,18,19)
InChI Key:	RVVIKJAZPQYDOS-UHFFFAOYSA-N
Purity:	95%
Density:	1.8±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[4860-03-1]
1-Chlorohexadecane
[452-76-6]
2,4-Difluorotoluene

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[1011349-32-8]
6-Amino-1-isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
[16837-08-4]
6-Amino-1-methyl-2-thio-uracil

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:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.05686099
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	271.05686099
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8