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Chemical ID: 5991703

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NC(C)c4ccccc4

Chemical ID:

5991703

Name [?]:

2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-N-(1-phenylethyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NC(C)c4ccccc4

InChi [?]:

InChI=1/C24H23N3O3/c1-16-9-14-23(30-16)21-15-22(24(28)25-17(2)18-7-5-4-6-8-18)27(26-21)19-10-12-20(29-3)13-11-19/h4-15,17H,1-3H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,24,19,28,27,29,26,30,3,13,17,14,16,4,8,2,23,25,12,15,7,9,5,20,22,11,10,21,18,6/E:(5,6)(7,8)(10,11)(12,13)/rA:30cCCCCCOCCCNNCCCCCCOCCONCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s9;d20;s20;s22;s23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6779
Area:	647.951
Solvation:	-4.52084
Coulombic:	-43.8894

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	401.458
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.53
LogP (Chemaxon):	3.65

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