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7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS: 138904-34-4

Formula: C8H5ClN4

SMILES: CC1=NC2=C(C=NN2C(Cl)=C1)C#N

IUPAC: 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

InChI: InChI=1S/C8H5ClN4/c1-5-2-7(9)13-8(12-5)6(3-10)4-11-13/h2,4H,1H3

Composition: C (49.89%), H (2.62%), Cl (18.41%), N (29.09%)

Molar Mass: 192.61

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 192.0202739
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FZHJDKNVOBPMFQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.89
Topological Polar Surface Area 53.98
Polarizability 17.97
Ring Count 2
Rotatable Bond Count 0

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