Chemical ID: 7158834

CCn1cc(c(n1)C)C(=O)Nc2cnn(c2C(=O)N)CC
Chemical ID:
7158834
Name [?]:
N-(5-carbamoyl-1-ethyl-pyrazol-4-yl)-1-ethyl-3-methyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(c(n1)C)C(=O)Nc2cnn(c2C(=O)N)CC
InChi [?]:
InChI=1/C13H18N6O2/c1-4-18-7-9(8(3)17-18)13(21)16-10-6-15-19(5-2)11(10)12(14)20/h6-7H,4-5H2,1-3H3,(H2,14,20)(H,16,21)
InChi Info:
AuxInfo=1/1/N:1,21,8,2,20,13,4,6,5,12,16,17,9,19,14,11,7,3,15,18,10/rA:21nCCNCCCNCCONCCNNCCONCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;d9;s9;s11;s12;d13;s14;d12s15;s16;d17;s17;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N6O2
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.83245
Area:501.134
Solvation:-3.69591
Coulombic:-54.6161
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.321
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.7
LogP (Chemaxon):-0.43

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Descriptor Annotations

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