Chemical ID: 3965471

Cc1cc(=O)n(n1C)c2ccccc2
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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