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1250324-51-6 | 1,3-DIMETHYL-5-(3-METHYLPYRROLIDIN-1-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 1250324-51-6 Catalog No: AG01C8O0 MDL No:MFCD14601100
Product Description
Catalog Number:
AG01C8O0
Chemical Name:
1,3-DIMETHYL-5-(3-METHYLPYRROLIDIN-1-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
1250324-51-6
Molecular Formula:
C11H17N3O
Molecular Weight:
207.2722
MDL Number:
MFCD14601100
IUPAC Name:
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H17N3O/c1-8-4-5-14(6-8)11-10(7-15)9(2)12-13(11)3/h7-8H,4-6H2,1-3H3
InChI Key:
AMTVVXVINZUGRQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CCC(C1)C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.277g/mol
Monoisotopic Mass:
207.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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