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139756-04-0 | 1H-Pyrazole-5-carboxamide, 1-methyl-4-[(2-propoxybenzoyl)amino]-3-propyl-
CAS No: 139756-04-0 Catalog No: AG001BNX MDL No:MFCD20270864
Product Description
Catalog Number:
AG001BNX
Chemical Name:
1H-Pyrazole-5-carboxamide, 1-methyl-4-[(2-propoxybenzoyl)amino]-3-propyl-
CAS Number:
139756-04-0
Molecular Formula:
C18H24N4O3
Molecular Weight:
344.4082
MDL Number:
MFCD20270864
IUPAC Name:
2-methyl-4-[(2-propoxybenzoyl)amino]-5-propylpyrazole-3-carboxamide
InChI:
InChI=1S/C18H24N4O3/c1-4-8-13-15(16(17(19)23)22(3)21-13)20-18(24)12-9-6-7-10-14(12)25-11-5-2/h6-7,9-10H,4-5,8,11H2,1-3H3,(H2,19,23)(H,20,24)
InChI Key:
OYHROMDBMGIQCJ-UHFFFAOYSA-N
SMILES:
CCCOc1ccccc1C(=O)Nc1c(CCC)nn(c1C(=O)N)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.415g/mol
Monoisotopic Mass:
344.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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