Chemical ID: 4601790

Cc1c(c(n(n1)c2ccccc2)C)C=C
Chemical ID:
4601790
Name [?]:
3,5-dimethyl-1-phenyl-4-vinyl-pyrazole
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)C)C=C
InChi [?]:
InChI=1/C13H14N2/c1-4-13-10(2)14-15(11(13)3)12-8-6-5-7-9-12/h4-9H,1H2,2-3H3
InChi Info:
AuxInfo=1/0/N:15,1,13,14,10,9,11,8,12,2,4,7,3,6,5/E:(6,7)(8,9)/rA:15nCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s3;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.90322
Area:381.488
Solvation:-1.63397
Coulombic:-6.67395
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.264
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.19
LogP (Chemaxon):2.84

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Descriptor Annotations

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