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Chemical ID: 5987259

Cc1ccc(cc1)NC(=O)c2cc(nn2c3ccc(cc3)F)c4ccccc4Cl

Chemical ID:

5987259

Name [?]:

5-(2-chlorophenyl)-2-(4-fluorophenyl)-N-(p-tolyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2cc(nn2c3ccc(cc3)F)c4ccccc4Cl

InChi [?]:

InChI=1/C23H17ClFN3O/c1-15-6-10-17(11-7-15)26-23(29)22-14-21(19-4-2-3-5-20(19)24)27-28(22)18-12-8-16(25)9-13-18/h2-14H,1H3,(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,25,26,24,27,3,7,18,20,4,6,17,21,12,2,19,5,16,23,28,13,11,9,29,22,8,14,15,10/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCCNCOCCCNNCCCCCCFCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s13;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇ClFN₃O
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.076
Area:	598.994
Solvation:	-3.89888
Coulombic:	-32.5853

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	405.852
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.22
LogP (Chemaxon):	6.03

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