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Chemical ID: 5981863

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3F)C(=O)NCCCN4CCOCC4)C

Chemical ID:

5981863

Name [?]:

2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-N-(3-morpholinopropyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3F)C(=O)NCCCN4CCOCC4)C

InChi [?]:

InChI=1/C25H29FN4O2/c1-18-8-9-19(2)23(16-18)30-24(17-22(28-30)20-6-3-4-7-21(20)26)25(31)27-10-5-11-29-12-14-32-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,32,15,16,24,14,17,3,4,23,25,27,31,28,30,7,10,2,5,13,18,11,6,9,20,19,22,12,26,8,21,29/E:(12,13)(14,15)/rA:32nCCCCCCCNCCCNCCCCCCFCONCCCNCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s24;s25;s26;s27;s28;s29;s26s30;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉FN₄O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1446
Area:	659.373
Solvation:	-5.33976
Coulombic:	-45.1192

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	436.522
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.07
LogP (Chemaxon):	3.51

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