Chemical ID: 4746714

CN(C)C=Nc1ccccc1C2C=NNC2=O
Chemical ID:
4746714
Name [?]:
4-[2-(dimethylaminomethyleneamino)phenyl]-2,4-dihydropyrazol-3-one
SMILES [?]:
CN(C)C=Nc1ccccc1C2C=NNC2=O
InChi [?]:
InChI=1/C12H14N4O/c1-16(2)8-13-11-6-4-3-5-9(11)10-7-14-15-12(10)17/h3-8,10H,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,10,7,13,4,11,12,6,16,5,14,15,2,17/E:(1,2)/rA:17cCNCCNCCCCCCCCNNCO/rB:s1;s2;s2;w4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s14;s12s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N4O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.1176
Area:387.868
Solvation:-2.57909
Coulombic:-30.7933
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:230.266
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.78
LogP (Chemaxon):1.09

Name Annotations

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Descriptor Annotations

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