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2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS: 1832580-83-2

Formula: C10H10ClN3O3

SMILES: CO[C@@H](C)C1=C(C=NC2=CC(Cl)=NN12)C(O)=O

IUPAC: 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

InChI: InChI=1S/C10H10ClN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1

Composition: C (46.98%), H (3.94%), Cl (13.87%), N (16.44%), O (18.77%)

Molar Mass: 255.66

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 255.0410689
Formal Charge 0
FSP3 0.3
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey WQWUFYGKJQHKJL-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.76
Topological Polar Surface Area 76.72
Polarizability 23.05
Ring Count 2
Rotatable Bond Count 3

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