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Chemical ID: 5986780

Cc1cccc(c1)n2c(cc(n2)c3ccccc3F)C(=O)NCc4ccncc4

Chemical ID:

5986780

Name [?]:

5-(2-fluorophenyl)-2-(m-tolyl)-N-(4-pyridylmethyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1cccc(c1)n2c(cc(n2)c3ccccc3F)C(=O)NCc4ccncc4

InChi [?]:

InChI=1/C23H19FN4O/c1-16-5-4-6-18(13-16)28-22(23(29)26-15-17-9-11-25-12-10-17)14-21(27-28)19-7-2-3-8-20(19)24/h2-14H,15H2,1H3,(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,15,16,4,3,5,14,17,25,29,26,28,7,10,23,2,24,6,13,18,11,9,20,19,27,22,12,8,21/E:(9,10)(11,12)/rA:29nCCCCCCCNCCCNCCCCCCFCONCCCCNCC/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:	C₂₃H₁₉FN₄O
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2207
Area:	609.672
Solvation:	-5.02108
Coulombic:	-36.1347

Bond Count [?]

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

Chemical Properties

Molecular Weight:	386.422
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.49
LogP (Chemaxon):	3.82

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