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Chemical ID: 5987798

Cn1c(cc(n1)c2ccc(cc2)OC)C(=O)NC(Cc3ccccc3)c4ccccc4

Chemical ID:

5987798

Name [?]:

N-(1,2-diphenylethyl)-5-(4-methoxyphenyl)-2-methyl-pyrazole-3-carboxamide

SMILES [?]:

Cn1c(cc(n1)c2ccc(cc2)OC)C(=O)NC(Cc3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C26H25N3O2/c1-29-25(18-24(28-29)21-13-15-22(31-2)16-14-21)26(30)27-23(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-16,18,23H,17H2,1-2H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,14,23,29,22,24,28,30,21,25,27,31,8,12,9,11,19,4,20,26,7,10,18,5,3,15,17,6,2,16,13/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:31cCNCCCNCCCCCCOCCONCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s3;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	11.9342
Area:	663.483
Solvation:	-4.6529
Coulombic:	-37.6723

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	411.496
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.47
LogP (Chemaxon):	4.69

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value