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Chemical ID: 5898104

Cc1ccc(cc1)n2c(cc(n2)c3ccco3)C(=O)NCc4ccccc4

Chemical ID:

5898104

Name [?]:

N-benzyl-5-(2-furyl)-2-(p-tolyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(cc1)n2c(cc(n2)c3ccco3)C(=O)NCc4ccccc4

InChi [?]:

InChI=1/C22H19N3O2/c1-16-9-11-18(12-10-16)25-20(14-19(24-25)21-8-5-13-27-21)22(26)23-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,15,23,27,14,3,7,4,6,16,10,21,2,22,5,11,9,13,18,20,12,8,19,17/E:(3,4)(6,7)(9,10)(11,12)/rA:27nCCCCCCCNCCCNCCCCOCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;s9;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5777
Area:	594.715
Solvation:	-3.29013
Coulombic:	-37.5163

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	357.405
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.29
LogP (Chemaxon):	3.94

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value