Chemical ID: 4732008

Cc1ccccc1n2c(c(cn2)C=O)C
Chemical ID:
4732008
Name [?]:
5-methyl-1-(o-tolyl)pyrazole-4-carbaldehyde
SMILES [?]:
Cc1ccccc1n2c(c(cn2)C=O)C
InChi [?]:
InChI=1/C12H12N2O/c1-9-5-3-4-6-12(9)14-10(2)11(8-15)7-13-14/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,4,5,3,6,11,13,2,9,10,7,12,8,14/rA:15nCCCCCCCNCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s10;d13;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.46206
Area:374.273
Solvation:-2.89476
Coulombic:-11.1259
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.237
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.24
LogP (Chemaxon):2.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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