Home Carboxys 5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

CAS No.:
1824301-46-3
Catalog Number:
AG01DIOC
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
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Product Description
Catalog Number:
AG01DIOC
Chemical Name:
5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CAS Number:
1824301-46-3
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD22396339
IUPAC Name:
5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
InChI:
InChI=1S/C9H13N3O2/c1-11-3-2-4-12-7(6-11)5-8(10-12)9(13)14/h5H,2-4,6H2,1H3,(H,13,14)
InChI Key:
FVUXSWAQHNRADJ-UHFFFAOYSA-N
SMILES:
CN1CCCn2c(C1)cc(n2)C(=O)O
Properties
Complexity:
234  
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:
1  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  
Properties