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Chemical ID: 5986759

Cc1cccc(c1)n2c(cc(n2)c3ccccc3F)C(=O)NCc4ccccc4

Chemical ID:

5986759

Name [?]:

N-benzyl-5-(2-fluorophenyl)-2-(m-tolyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1cccc(c1)n2c(cc(n2)c3ccccc3F)C(=O)NCc4ccccc4

InChi [?]:

InChI=1/C24H20FN3O/c1-17-8-7-11-19(14-17)28-23(24(29)26-16-18-9-3-2-4-10-18)15-22(27-28)20-12-5-6-13-21(20)25/h2-15H,16H2,1H3,(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,15,16,4,3,25,29,5,14,17,7,10,23,2,24,6,13,18,11,9,20,19,22,12,8,21/E:(3,4)(9,10)/rA:29nCCCCCCCNCCCNCCCCCCFCONCCCCCCC/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;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀FN₃O
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9915
Area:	611.774
Solvation:	-4.30279
Coulombic:	-33.6045

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	385.434
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.75
LogP (Chemaxon):	5.13

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