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Chemical ID: 5985108

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NC(C)CCc4ccccc4

Chemical ID:

5985108

Name [?]:

2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)-N-(1-methyl-3-phenyl-propyl)-pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)NC(C)CCc4ccccc4

InChi [?]:

InChI=1/C30H33N3O/c1-20-11-16-28(23(4)17-20)33-29(19-27(32-33)26-15-12-21(2)22(3)18-26)30(34)31-24(5)13-14-25-9-7-6-8-10-25/h6-12,15-19,24H,13-14H2,1-5H3,(H,31,34)

InChi Info:

AuxInfo=1/1/N:1,21,20,8,26,32,31,33,30,34,3,16,27,28,15,4,7,19,11,2,17,18,6,25,29,14,12,5,10,22,24,13,9,23/E:(7,8)(9,10)/rA:34cCCCCCCCCNCCCNCCCCCCCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s18;s17;s10;d22;s22;s24;s25;s25;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₃N₃O
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	14.7357
Area:	686.537
Solvation:	-2.42768
Coulombic:	-31.8219

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	451.603
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.66
LogP (Chemaxon):	7.45

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