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876316-90-4 | 1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CAS No: 876316-90-4 Catalog No: AG01FLVB MDL No:MFCD16650990
Product Description
Catalog Number:
AG01FLVB
Chemical Name:
1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CAS Number:
876316-90-4
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
MDL Number:
MFCD16650990
IUPAC Name:
2-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
InChI:
InChI=1S/C9H9N3OS/c1-12-7(9(10)13)5-6(11-12)8-3-2-4-14-8/h2-5H,1H3,(H2,10,13)
InChI Key:
ZGEQNICUPRDSGG-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(nn1C)c1cccs1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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