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Chemical ID: 5986964

Cc1cccc(c1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NC(Cc4ccccc4)c5ccccc5

Chemical ID:

5986964

Name [?]:

N-(1,2-diphenylethyl)-5-(3-methoxyphenyl)-2-(m-tolyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1cccc(c1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NC(Cc4ccccc4)c5ccccc5

InChi [?]:

InChI=1/C32H29N3O2/c1-23-11-9-17-27(19-23)35-31(22-30(34-35)26-16-10-18-28(21-26)37-2)32(36)33-29(25-14-7-4-8-15-25)20-24-12-5-3-6-13-24/h3-19,21-22,29H,20H2,1-2H3,(H,33,36)

InChi Info:

AuxInfo=1/1/N:1,20,29,35,28,30,34,36,4,15,3,27,31,33,37,14,5,16,7,25,18,10,2,26,32,13,6,17,24,11,9,21,23,12,8,22,19/E:(5,6)(7,8)(12,13)(14,15)/rA:37cCCCCCCCNCCCNCCCCCCOCCONCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s9;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s24;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₂₉N₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	13.8321
Area:	756.484
Solvation:	-5.08002
Coulombic:	-38.8613

Bond Count [?]

All:	41
Single:	26
Double:	15
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	487.592
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.47
LogP (Chemaxon):	6.84

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value