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Chemical ID: 5987399

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NC(C)C(C)C)C

Chemical ID:

5987399

Name [?]:

5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)-N-(1,2-dimethylpropyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NC(C)C(C)C)C

InChi [?]:

InChI=1/C23H26ClN3O/c1-14(2)17(5)25-23(28)22-13-20(18-8-6-7-9-19(18)24)26-27(22)21-12-15(3)10-11-16(21)4/h6-14,17H,1-5H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:26,27,1,28,24,15,16,14,17,3,4,7,10,25,2,5,23,13,18,11,6,9,20,19,22,12,8,21/E:(1,2)/rA:28cCCCCCCCNCCCNCCCCCCClCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s23;s25;s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆ClN₃O
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3438
Area:	611.58
Solvation:	-2.94572
Coulombic:	-29.7643

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	395.925
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.26
LogP (Chemaxon):	5.83

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