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Chemical ID: 4732008
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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