3-[5-(1,5-Dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1174878-30-8

Name: 3-[5-(1,5-Dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB053055
Product Name:	3-[5-(1,5-Dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CAS:	1174878-30-8
Synonyms:	3-(5-(1,5-Dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid; 3-[5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid

Technical Data

Computed Properties

IUPAC Name:	3-[5-(1,5-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
Molecular Weight:	354.29
Molecular Formula:	C14H13F3N6O2
Canonical SMILES:	CC1=C(C=NN1C)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)CCC(=O)O
InChI:	InChI=1S/C14H13F3N6O2/c1-7-8(6-18-22(7)2)9-5-10(14(15,16)17)23-13(19-9)20-11(21-23)3-4-12(24)25/h5-6H,3-4H2,1-2H3,(H,24,25)
InChI Key:	FYYPIAHNIVNUTH-UHFFFAOYSA-N
Density:	1.6±0.1 g/cm3

Complexity:	507
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	354.10520816
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	354.10520816
Rotatable Bond Count:	4
Topological Polar Surface Area:	98.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2

3-[5-(1,5-Dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1174878-30-8

Technical Data

Computed Properties

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