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Chemical ID: 5208711
Chemical ID:
5208711
Name [?]:
1,5-dimethyl-4-methylamino-2-phenyl-pyrazol-3-one
SMILES [?]:
Cc1c(c(=O)n(n1C)c2ccccc2)NC
InChi [?]:
InChI=1/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,8,12,11,13,10,14,2,9,3,4,15,7,6,5/E:(5,6)(7,8)/rA:16cCCCCONNCCCCCCCNC/rB:s1;d2;s3;d4;s4;s2s6;s7;s6;s9;d10;s11;d12;d9s13;s3;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N3O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73838 |
Area: | 384.844 |
Solvation: | -1.88273 |
Coulombic: | -30.8276 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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