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Chemical ID: 5985067

Cc1ccc(cc1C)c2cc(n(n2)c3ccccc3Cl)C(=O)Nc4ccccc4F

Chemical ID:

5985067

Name [?]:

2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(cc1C)c2cc(n(n2)c3ccccc3Cl)C(=O)Nc4ccccc4F

InChi [?]:

InChI=1/C24H19ClFN3O/c1-15-11-12-17(13-16(15)2)21-14-23(24(30)27-20-9-5-4-8-19(20)26)29(28-21)22-10-6-3-7-18(22)25/h3-14H,1-2H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,8,17,27,26,16,18,28,25,15,3,4,6,10,2,7,5,19,29,24,9,14,11,21,20,30,23,13,12,22/rA:30nCCCCCCCCCCCNNCCCCCCClCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s19;s11;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉ClFN₃O
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4326
Area:	606.635
Solvation:	-2.73332
Coulombic:	-34.9953

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	419.878
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.66
LogP (Chemaxon):	5.85

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