Chemical ID: 7007084

CC1=NN(C(=O)C1C=O)c2ccccc2
Chemical ID:
7007084
Name [?]:
3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde
SMILES [?]:
CC1=NN(C(=O)C1C=O)c2ccccc2
InChi [?]:
InChI=1/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,10H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,8,2,10,7,5,3,4,9,6/E:(3,4)(5,6)/rA:15cCCNNCOCCOCCCCCC/rB:s1;d2;s3;s4;d5;s2s5;s7;d8;s4;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O2
All Atoms:25
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.31005
Area:373.517
Solvation:-3.02789
Coulombic:-21.0944
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:4
XLogP:1.24
LogP (Chemaxon):1.51

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Descriptor Annotations

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