ethyl 6-[(6-chloropyridin-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-[(6-chloropyridin-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

CAS: 866149-11-3

Formula: C17H17ClN4O2

SMILES: CCOC(=O)C1=C2N=C(C)C(CC3=CN=C(Cl)C=C3)=C(C)N2N=C1

IUPAC: ethyl 6-[(6-chloropyridin-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

InChI: InChI=1S/C17H17ClN4O2/c1-4-24-17(23)14-9-20-22-11(3)13(10(2)21-16(14)22)7-12-5-6-15(18)19-8-12/h5-6,8-9H,4,7H2,1-3H3

Composition: C (59.22%), H (4.97%), Cl (10.28%), N (16.25%), O (9.28%)

Molar Mass: 344.8

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	344.1040035
Formal Charge	0
FSP3	0.29
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RCTNKECFCJIFKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.74
Topological Polar Surface Area	69.38
Polarizability	34.62
Ring Count	3
Rotatable Bond Count	5

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