Chemical ID: 5208711

Cc1c(c(=O)n(n1C)c2ccccc2)NC
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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