Chemical ID: 5652534

CCCC1=NN(C(=O)C1=CN(C)C)c2ccc(cc2)N(=O)=O
Chemical ID:
5652534
Name [?]:
4-(dimethylaminomethylene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one
SMILES [?]:
CCCC1=NN(C(=O)C1=CN(C)C)c2ccc(cc2)N(=O)=O
InChi [?]:
InChI=1/C15H18N4O3/c1-4-5-14-13(10-17(2)3)15(20)18(16-14)11-6-8-12(9-7-11)19(21)22/h6-10H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,2,3,15,19,16,18,10,14,17,9,4,7,5,11,6,20,8,21,22/E:(2,3)(6,7)(8,9)(21,22)/CRV:19.5/rA:22nCCCCNNCOCCNCCCCCCCCNOO/rB:s1;s2;s3;d4;s5;s6;d7;s4s7;w9;s10;s11;s11;s6;s14;d15;s16;d17;d14s18;s17;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N4O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.72213
Area:508.656
Solvation:-6.99428
Coulombic:-34.3623
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:302.329
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.06
LogP (Chemaxon):3.13

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