Chemical ID: 4736431

Cc1cc(nn1C(C)(C)C)C(=O)NCc2ccco2
Chemical ID:
4736431
Name [?]:
N-(2-furylmethyl)-5-methyl-1-tert-butyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1cc(nn1C(C)(C)C)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C14H19N3O2/c1-10-8-12(16-17(10)14(2,3)4)13(18)15-9-11-6-5-7-19-11/h5-8H,9H2,1-4H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,8,9,10,17,16,18,3,14,2,15,4,11,7,13,5,6,12,19/E:(2,3,4)/rA:19nCCCCNNCCCCCONCCCCCO/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;s7;s4;d11;s11;s13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.76753
Area:470.063
Solvation:-2.98404
Coulombic:-33.4767
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.32
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.86
LogP (Chemaxon):1.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue