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116856-17-8 | Urea, N-(1-methyl-1H-pyrazol-5-yl)-
CAS No: 116856-17-8 Catalog No: AG000DBA MDL No:
Product Description
Catalog Number:
AG000DBA
Chemical Name:
Urea, N-(1-methyl-1H-pyrazol-5-yl)-
CAS Number:
116856-17-8
Molecular Formula:
C5H8N4O
Molecular Weight:
140.1432
IUPAC Name:
(2-methylpyrazol-3-yl)urea
InChI:
InChI=1S/C5H8N4O/c1-9-4(2-3-7-9)8-5(6)10/h2-3H,1H3,(H3,6,8,10)
InChI Key:
XSGPCKRUVVAWNK-UHFFFAOYSA-N
SMILES:
Cn1nccc1NC(=O)N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.146g/mol
Monoisotopic Mass:
140.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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