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100827-41-6 | 1H-Pyrazole-3-carboxylic acid, 4,5-bis(dimethylamino)-, ethyl ester
CAS No: 100827-41-6 Catalog No: AG0002Y7 MDL No:
Product Description
Catalog Number:
AG0002Y7
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4,5-bis(dimethylamino)-, ethyl ester
CAS Number:
100827-41-6
Molecular Formula:
C10H18N4O2
Molecular Weight:
226.2755
IUPAC Name:
ethyl 3,4-bis(dimethylamino)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C10H18N4O2/c1-6-16-10(15)7-8(13(2)3)9(12-11-7)14(4)5/h6H2,1-5H3,(H,11,12)
InChI Key:
SIFNCTIPHSWXTE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1N(C)C)N(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.28g/mol
Monoisotopic Mass:
226.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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