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84958-62-3 | Propanamide, N-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-
CAS No: 84958-62-3 Catalog No: AG004R80 MDL No:
Product Description
Catalog Number:
AG004R80
Chemical Name:
Propanamide, N-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-
CAS Number:
84958-62-3
Molecular Formula:
C10H17N3O
Molecular Weight:
195.2615
IUPAC Name:
N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
InChI:
InChI=1S/C10H17N3O/c1-5-9(14)11-8-6-7(12-13-8)10(2,3)4/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChI Key:
QHMZLDCWTNRBKZ-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1n[nH]c(c1)C(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.137g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.266g/mol
Monoisotopic Mass:
195.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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