Chemical ID: 3991185

CC1=NN(C(=O)C1)c2cccc(c2)C(F)(F)F
Chemical ID:
3991185
Name [?]:
5-methyl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C11H9F3N2O/c1-7-5-10(17)16(15-7)9-4-2-3-8(6-9)11(12,13)14/h2-4,6H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,7,13,2,12,8,5,14,15,16,17,3,4,6/E:(12,13,14)/rA:17nCCNNCOCCCCCCCCFFF/rB:s1;d2;s3;s4;d5;s2s5;s4;s8;d9;s10;d11;d8s12;s12;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9F3N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.99348
Area:383.116
Solvation:-2.58441
Coulombic:-32.6753
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.197
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.41
LogP (Chemaxon):3.01

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