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115931-38-9 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester
CAS No: 115931-38-9 Catalog No: AG000H59 MDL No:MFCD12912917
Product Description
Catalog Number:
AG000H59
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester
CAS Number:
115931-38-9
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD12912917
IUPAC Name:
ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h6,10H,2-5H2,1H3
InChI Key:
LHAJDIVJNINOJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1NCCC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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