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Chemical ID: 5982170

CCCCCNC(=O)c1cc(nn1c2ccc(cc2)OC)c3ccc(cc3)F

Chemical ID:

5982170

Name [?]:

5-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-pentyl-pyrazole-3-carboxamide

SMILES [?]:

CCCCCNC(=O)c1cc(nn1c2ccc(cc2)OC)c3ccc(cc3)F

InChi [?]:

InChI=1/C22H24FN3O2/c1-3-4-5-14-24-22(27)21-15-20(16-6-8-17(23)9-7-16)25-26(21)18-10-12-19(28-2)13-11-18/h6-13,15H,3-5,14H2,1-2H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,21,2,3,4,23,27,24,26,15,19,16,18,5,10,22,25,14,17,11,9,7,28,6,12,13,8,20/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCCCCCNCOCCCNNCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s11;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄FN₃O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8874
Area:	629.65
Solvation:	-4.85388
Coulombic:	-39.672

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	381.443
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.43
LogP (Chemaxon):	4.24

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

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

Chemical Mix	Source	External ID	Descriptor	Value