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139449-54-0 | 1H-Pyrazole-3-carboxamide, N-[2-(dimethylamino)ethyl]-5-[[[3-[[3-(dimethylamino)-1-oxopropyl]amino]-1-methyl-1H-pyrazol-5-yl]carbonyl]amino]-1-methyl-
CAS No: 139449-54-0 Catalog No: AG001B1W MDL No:
Product Description
Catalog Number:
AG001B1W
Chemical Name:
1H-Pyrazole-3-carboxamide, N-[2-(dimethylamino)ethyl]-5-[[[3-[[3-(dimethylamino)-1-oxopropyl]amino]-1-methyl-1H-pyrazol-5-yl]carbonyl]amino]-1-methyl-
CAS Number:
139449-54-0
Molecular Formula:
C19H31N9O3
Molecular Weight:
433.5079
IUPAC Name:
N-[5-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrazol-3-yl]-5-[3-(dimethylamino)propanoylamino]-2-methylpyrazole-3-carboxamide
InChI:
InChI=1S/C19H31N9O3/c1-25(2)9-7-17(29)21-15-12-14(27(5)24-15)19(31)22-16-11-13(23-28(16)6)18(30)20-8-10-26(3)4/h11-12H,7-10H2,1-6H3,(H,20,30)(H,22,31)(H,21,24,29)
InChI Key:
JOKCDCHFQHNCDY-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1cc(n(n1)C)NC(=O)c1cc(nn1C)NC(=O)CCN(C)C)C
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.255g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
433.517g/mol
Monoisotopic Mass:
433.255g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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