Chemical ID: 7170944

Cc1ccc(cc1)C(=O)Nc2cnn(c2C(=O)N)C
Chemical ID:
7170944
Name [?]:
2-methyl-4-(4-methylbenzoyl)amino-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2cnn(c2C(=O)N)C
InChi [?]:
InChI=1/C13H14N4O2/c1-8-3-5-9(6-4-8)13(19)16-10-7-15-17(2)11(10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,4,6,12,2,5,11,15,16,8,18,13,10,14,17,9/E:(3,4)(5,6)/rA:19nCCCCCCCCONCCNNCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d11s14;s15;d16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N4O2
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.38835
Area:452.76
Solvation:-2.93064
Coulombic:-52.7704
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:1.66
LogP (Chemaxon):0.91

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Descriptor Annotations

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