Chemical ID: 7171106

Cc1ccccc1C(=O)Nc2cn(nc2C(=O)N)C
Chemical ID:
7171106
Name [?]:
1-methyl-4-(2-methylbenzoyl)amino-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cn(nc2C(=O)N)C
InChi [?]:
InChI=1/C13H14N4O2/c1-8-5-3-4-6-9(8)13(19)15-10-7-17(2)16-11(10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,3,6,12,2,7,11,15,16,8,18,10,14,13,17,9/rA:19nCCCCCCCCONCCNNCCONC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;s13;s11d14;s15;d16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N4O2
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.86498
Area:441.501
Solvation:-2.17255
Coulombic:-54.0605
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:258.276
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.56
LogP (Chemaxon):1.54

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