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Chemical ID: 7212011

Chemical ID:

7212011

Name [?]:

3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-(2,6-dimethyl-1-piperidyl)-propan-1-one

SMILES [?]:

Cc1c(c(n(n1)CCC(=O)N2C(CCCC2C)C)C)Cl

InChi [?]:

InChI=1/C15H24ClN3O/c1-10-6-5-7-11(2)19(10)14(20)8-9-18-13(4)15(16)12(3)17-18/h10-11H,5-9H2,1-4H3

InChi Info:

AuxInfo=1/0/N:17,18,1,19,14,15,13,8,7,16,12,2,4,9,3,20,6,5,11,10/E:(1,2)(6,7)(10,11)/rA:20cCCCCNNCCCONCCCCCCCCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₄ClN₃O
All Atoms:	44
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	10.1664
Area:	493.77
Solvation:	-2.17788
Coulombic:	-20.1078

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	297.823
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.77
LogP (Chemaxon):	1.92

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