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1374829-42-1 | 1H-Pyrazole-3-carboxylic acid, 5-[[5-chloro-4-(methylamino)-2-pyrimidinyl]amino]-1-methyl-
CAS No: 1374829-42-1 Catalog No: AG0013CN MDL No:
Product Description
Catalog Number:
AG0013CN
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-[[5-chloro-4-(methylamino)-2-pyrimidinyl]amino]-1-methyl-
CAS Number:
1374829-42-1
Molecular Formula:
C10H11ClN6O2
Molecular Weight:
282.6863
IUPAC Name:
5-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H11ClN6O2/c1-12-8-5(11)4-13-10(15-8)14-7-3-6(9(18)19)16-17(7)2/h3-4H,1-2H3,(H,18,19)(H2,12,13,14,15)
InChI Key:
LTESAEBBYVLRDZ-UHFFFAOYSA-N
SMILES:
CNc1nc(ncc1Cl)Nc1cc(nn1C)C(=O)O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.688g/mol
Monoisotopic Mass:
282.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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