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Chemical ID: 5987191

CC1CCCCN1CCCNC(=O)c2cc(nn2c3ccc(cc3)Cl)c4ccccc4Cl

Chemical ID:

5987191

Name [?]:

5-(2-chlorophenyl)-2-(4-chlorophenyl)-N-[3-(2-methyl-1-piperidyl)propyl]pyrazole-3-carboxamide

SMILES [?]:

CC1CCCCN1CCCNC(=O)c2cc(nn2c3ccc(cc3)Cl)c4ccccc4Cl

InChi [?]:

InChI=1/C25H28Cl2N4O/c1-18-7-4-5-15-30(18)16-6-14-28-25(32)24-17-23(21-8-2-3-9-22(21)27)29-31(24)20-12-10-19(26)11-13-20/h2-3,8-13,17-18H,4-7,14-16H2,1H3,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,28,29,4,5,9,3,27,30,21,23,20,24,10,6,8,15,2,22,19,26,31,16,14,12,25,32,11,17,7,18,13/E:(10,11)(12,13)/rA:32cCCCCCCNCCCNCOCCCNNCCCCCCClCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s22;s16;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈Cl₂N₄O
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	14.4283
Area:	710.715
Solvation:	-3.33955
Coulombic:	-34.6734

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.422
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.22
LogP (Chemaxon):	4.95

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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