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Chemical ID: 5758433
Chemical ID:
5758433
Name [?]:
3-methyl-5-oxo-1-phenyl-2H-pyrazole-4-carbaldehyde
SMILES [?]:
Cc1c(c(=O)n([nH]1)c2ccccc2)C=O
InChi [?]:
InChI=1/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,14,2,8,3,4,7,6,15,5/E:(3,4)(5,6)/rA:15nCCCCONNCCCCCCCO/rB:s1;d2;s3;d4;s4;s2s6;s6;s8;d9;s10;d11;d8s12;s3;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.48062 |
Area: | 371.462 |
Solvation: | -3.80593 |
Coulombic: | -28.447 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.209 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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