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2-ethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-ethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS: 1707575-91-4

Formula: C9H9N3O2

SMILES: CCC1=NN2C=C(C=NC2=C1)C(O)=O

IUPAC: 2-ethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

InChI: InChI=1S/C9H9N3O2/c1-2-7-3-8-10-4-6(9(13)14)5-12(8)11-7/h3-5H,2H2,1H3,(H,13,14)

Composition: C (56.54%), H (4.75%), N (21.98%), O (16.74%)

Molar Mass: 191.19

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 191.069476542
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey AIARXGKVMUWPBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.25
Topological Polar Surface Area 67.49
Polarizability 18.38
Ring Count 2
Rotatable Bond Count 2

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