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Chemical ID: 3965471
Chemical ID:
3965471
Name [?]:
1,5-dimethyl-2-phenyl-pyrazol-3-one
SMILES [?]:
Cc1cc(=O)n(n1C)c2ccccc2
InChi [?]:
InChI=1/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,12,11,13,10,14,3,2,9,4,7,6,5/E:(4,5)(6,7)/rA:14cCCCCONNCCCCCCC/rB:s1;d2;s3;d4;s4;s2s6;s7;s6;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75979 |
Area: | 352.312 |
Solvation: | -2.04801 |
Coulombic: | -17.1801 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 188.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.09 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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