Chemical ID: 7159931

CCn1cc(c(n1)C(=O)N)NC(=O)c2c(nn(c2C)C)C
Chemical ID:
7159931
Name [?]:
N-(3-carbamoyl-1-ethyl-pyrazol-4-yl)-1,3,5-trimethyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)c2c(nn(c2C)C)C
InChi [?]:
InChI=1/C13H18N6O2/c1-5-19-6-9(11(17-19)12(14)20)15-13(21)10-7(2)16-18(4)8(10)3/h6H,5H2,1-4H3,(H2,14,20)(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,21,19,20,2,4,15,18,5,14,6,8,12,10,11,16,7,17,3,9,13/rA:21nCCNCCCNCONNCOCCNNCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d14s17;s18;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N6O2
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.42493
Area:499.433
Solvation:-3.06089
Coulombic:-55.4261
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.321
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.42
LogP (Chemaxon):-0.12

Name Annotations

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Descriptor Annotations

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