3-bromo-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

3-bromo-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

CAS: 439107-69-4

Formula: C14H12BrN3

SMILES: CC1=NN2C=C(C=NC2=C1Br)C1=CC=C(C)C=C1

IUPAC: 3-bromo-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

InChI: InChI=1S/C14H12BrN3/c1-9-3-5-11(6-4-9)12-7-16-14-13(15)10(2)17-18(14)8-12/h3-8H,1-2H3

Composition: C (55.65%), H (4.00%), Br (26.44%), N (13.91%)

Molar Mass: 302.175

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	301.02146
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MHPNFKBRAOQZPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.17
Topological Polar Surface Area	30.19
Polarizability	29.55
Ring Count	3
Rotatable Bond Count	1

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