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648408-70-2 | 5-CHLORO-1-METHYL-N-PYRIDIN-3-YL-1H-PYRAZOLE-3-CARBOXAMIDE, TECH
CAS No: 648408-70-2 Catalog No: AG00ER9V MDL No:MFCD00106215
Product Description
Catalog Number:
AG00ER9V
Chemical Name:
5-CHLORO-1-METHYL-N-PYRIDIN-3-YL-1H-PYRAZOLE-3-CARBOXAMIDE, TECH
CAS Number:
648408-70-2
Molecular Formula:
C10H9ClN4O
Molecular Weight:
236.6577
MDL Number:
MFCD00106215
IUPAC Name:
5-chloro-1-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
InChI:
InChI=1S/C10H9ClN4O/c1-15-9(11)5-8(14-15)10(16)13-7-3-2-4-12-6-7/h2-6H,1H3,(H,13,16)
InChI Key:
QISGLKUVERLCQA-UHFFFAOYSA-N
SMILES:
O=C(c1nn(c(c1)Cl)C)Nc1cccnc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.659g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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