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1613191-73-3 | 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, 2-propen-1-yl ester
CAS No: 1613191-73-3 Catalog No: AG001SC9 MDL No:MFCD27996731
Product Description
Catalog Number:
AG001SC9
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, 2-propen-1-yl ester
CAS Number:
1613191-73-3
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
MDL Number:
MFCD27996731
IUPAC Name:
prop-2-enyl 3,5-diamino-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C7H10N4O2/c1-2-3-13-7(12)4-5(8)10-11-6(4)9/h2H,1,3H2,(H5,8,9,10,11)
InChI Key:
QPTWDVFFLRWIAM-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1c(N)n[nH]c1N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.183g/mol
Monoisotopic Mass:
182.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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