Chemical ID: 4378484

Cc1ccc(cc1)c2c(cn(n2)CCC#N)C#N
Chemical ID:
4378484
Name [?]:
1-(2-cyanoethyl)-3-(p-tolyl)pyrazole-4-carbonitrile
SMILES [?]:
Cc1ccc(cc1)c2c(cn(n2)CCC#N)C#N
InChi [?]:
InChI=1/C14H12N4/c1-11-3-5-12(6-4-11)14-13(9-16)10-18(17-14)8-2-7-15/h3-6,10H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,3,7,4,6,15,13,17,10,2,5,9,8,16,18,12,11/E:(3,4)(5,6)/rA:18nCCCCCCCCCCNNCCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s11;s13;s14;t15;s9;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.97031
Area:457.39
Solvation:-2.46445
Coulombic:-11.0208
Bond Count [?]
All:19
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:236.272
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.18
LogP (Chemaxon):2.75

Name Annotations

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Descriptor Annotations

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