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Chemical ID: 7212448

Chemical ID:

7212448

Name [?]:

2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(2,3-dimethylcyclohexyl)-acetamide

SMILES [?]:

Cc1c(c(nn1CC(=O)NC2CCCC(C2C)C)C(F)F)Br

InChi [?]:

InChI=1/C15H22BrF2N3O/c1-8-5-4-6-11(9(8)2)19-12(22)7-21-10(3)13(16)14(20-21)15(17)18/h8-9,11,15H,4-7H2,1-3H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:18,17,1,13,14,12,7,15,16,2,11,8,3,4,19,22,20,21,10,5,6,9/E:(17,18)/rA:22cCCCCNNCCONCCCCCCCCCFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s16;s15;s4;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₂BrF₂N₃O
All Atoms:	44
Heavy Atoms:	22
Chiral Atoms:	3

ZAP Information [?]

Total:	8.32102
Area:	508.879
Solvation:	-4.40097
Coulombic:	-35.2003

Bond Count [?]

All:	23
Single:	20
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	378.256
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.87
LogP (Chemaxon):	2.83

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value