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1172442-81-7 | 1H-Pyrazole, 1,3-dimethyl-5-(2-pyrrolidinyl)-
CAS No: 1172442-81-7 Catalog No: AG000DZG MDL No:MFCD09701944
Product Description
Catalog Number:
AG000DZG
Chemical Name:
1H-Pyrazole, 1,3-dimethyl-5-(2-pyrrolidinyl)-
CAS Number:
1172442-81-7
Molecular Formula:
C9H15N3
Molecular Weight:
165.2355
MDL Number:
MFCD09701944
IUPAC Name:
1,3-dimethyl-5-pyrrolidin-2-ylpyrazole
InChI:
InChI=1S/C9H15N3/c1-7-6-9(12(2)11-7)8-4-3-5-10-8/h6,8,10H,3-5H2,1-2H3
InChI Key:
SIEUUDQWIKILAE-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C1CCCN1)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.127g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.24g/mol
Monoisotopic Mass:
165.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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