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247583-78-4 | 1H-Pyrazole-3-carboxamide, 4-amino-1-methyl-5-propyl-
CAS No: 247583-78-4 Catalog No: AG002PCH MDL No:MFCD04115073
Product Description
Catalog Number:
AG002PCH
Chemical Name:
1H-Pyrazole-3-carboxamide, 4-amino-1-methyl-5-propyl-
CAS Number:
247583-78-4
Molecular Formula:
C8H14N4O
Molecular Weight:
182.2230
MDL Number:
MFCD04115073
IUPAC Name:
4-amino-1-methyl-5-propylpyrazole-3-carboxamide
InChI:
InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)11-12(5)2/h3-4,9H2,1-2H3,(H2,10,13)
InChI Key:
JTJPGTZETAVXAY-UHFFFAOYSA-N
SMILES:
CCCc1n(C)nc(c1N)C(=O)N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.227g/mol
Monoisotopic Mass:
182.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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