Chemical ID: 7196005

CCc1ccc(cc1)c2c[nH]nc2C=O
Chemical ID:
7196005
Name [?]:
4-(4-ethylphenyl)-1H-pyrazole-3-carbaldehyde
SMILES [?]:
CCc1ccc(cc1)c2c[nH]nc2C=O
InChi [?]:
InChI=1/C12H12N2O/c1-2-9-3-5-10(6-4-9)11-7-13-14-12(11)8-15/h3-8H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,10,14,3,6,9,13,11,12,15/E:(3,4)(5,6)/rA:15nCCCCCCCCCCNNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O
All Atoms:27
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.49646
Area:387.486
Solvation:-3.19069
Coulombic:-17.2997
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:200.237
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.16
LogP (Chemaxon):3.36

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Descriptor Annotations

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