Chemical ID: 7160291

CCn1cc(cn1)C(=O)Nc2c(c(c(s2)C)C)C#N
Chemical ID:
7160291
Name [?]:
N-(3-cyano-4,5-dimethyl-2-thienyl)-1-ethyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(cn1)C(=O)Nc2c(c(c(s2)C)C)C#N
InChi [?]:
InChI=1/C13H14N4OS/c1-4-17-7-10(6-15-17)12(18)16-13-11(5-14)8(2)9(3)19-13/h6-7H,4H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,2,18,6,4,13,14,5,12,8,11,19,7,10,3,9,15/rA:19nCCNCCCNCONCCCCSCCCN/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s13;s12;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N4OS
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.90038
Area:478.256
Solvation:-3.05601
Coulombic:-27.0887
Bond Count [?]
All:20
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.4
LogP (Chemaxon):1.59

Name Annotations

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Descriptor Annotations

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