Chemical ID: 6304462

Cc1c(cn(n1)C)C(=O)Nc2ccccc2C(=O)N
Chemical ID:
6304462
Name [?]:
N-(2-carbamoylphenyl)-1,3-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(cn(n1)C)C(=O)Nc2ccccc2C(=O)N
InChi [?]:
InChI=1/C13H14N4O2/c1-8-10(7-17(2)16-8)13(19)15-11-6-4-3-5-9(11)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,7,14,13,15,12,4,2,16,3,11,17,8,19,10,6,5,18,9/rA:19nCCCCNNCCONCCCCCCCON/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N4O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.85704
Area:437.234
Solvation:-3.07382
Coulombic:-50.7049
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:0.95
LogP (Chemaxon):0.85

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