Chemical ID: 5758433

Cc1c(c(=O)n([nH]1)c2ccccc2)C=O
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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