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Chemical ID: 6432813

c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4ccccc4

Chemical ID:

6432813

Name [?]:

N-(2,5-diphenylpyrazol-3-yl)benzamide

SMILES [?]:

c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4ccccc4

InChi [?]:

InChI=1/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1-16H,(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,24,15,2,6,23,25,14,16,3,5,22,26,13,17,8,4,21,12,7,9,19,18,11,10,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCCNNCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇N₃O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5861
Area:	560.127
Solvation:	-2.41703
Coulombic:	-31.0073

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.39
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.48
LogP (Chemaxon):	5.08

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