C1=CC(=C(C=C1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O)Cl)Cl
CAS: 329212-64-8
Name: 5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILES: C1=CC(=C(C=C1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O)Cl)Cl

Molecular Processing

Molecular formula
C14H6Cl2F3N3O2
Molecular weight
376.12
Exact mass
374.9789
XLogP
4.42
TPSA
67.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
80.4

Supplementary Information

InChIKey: LVEXBYVBMOIMAU-UHFFFAOYSA-N
Synonyme
5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid329212-64-85-(3,4-dichlorophenyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine-2- carboxylic acidMFCD00292746C14H6Cl2F3N3O2SCHEMBL1718676CHEMBL3695465LVEXBYVBMOIMAU-UHFFFAOYSA-NBDBM138367ENA21264SBB022600STK349884AKOS002075318EBC-149151ST003188CS-0240766EN300-229965US8877795, 16SR-01000551347SR-01000551347-1Z2771137385-(3,4-dichloro-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylicacid
Quelle anzeigen →
An 7 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→