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1006441-05-9 | 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-[[[(1-methyl-1H-pyrazol-4-yl)methyl]amino]carbonyl]-
CAS No: 1006441-05-9 Catalog No: AG0002JV MDL No:MFCD06806838
Product Description
Catalog Number:
AG0002JV
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-[[[(1-methyl-1H-pyrazol-4-yl)methyl]amino]carbonyl]-
CAS Number:
1006441-05-9
Molecular Formula:
C11H13N5O3
Molecular Weight:
263.2526
MDL Number:
MFCD06806838
IUPAC Name:
1-methyl-3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H13N5O3/c1-15-5-7(4-13-15)3-12-10(17)9-8(11(18)19)6-16(2)14-9/h4-6H,3H2,1-2H3,(H,12,17)(H,18,19)
InChI Key:
GMFJDSQPIALAES-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)CNC(=O)c1nn(cc1C(=O)O)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.257g/mol
Monoisotopic Mass:
263.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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