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Chemical ID: 5981357

Cc1ccc(cc1)n2c(cc(n2)c3ccccc3)C(=O)NC4CCCCNC4=O

Chemical ID:

5981357

Name [?]:

N-(2-oxoazepan-3-yl)-5-phenyl-2-(p-tolyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(cc1)n2c(cc(n2)c3ccccc3)C(=O)NC4CCCCNC4=O

InChi [?]:

InChI=1/C23H24N4O2/c1-16-10-12-18(13-11-16)27-21(15-20(26-27)17-7-3-2-4-8-17)23(29)25-19-9-5-6-14-24-22(19)28/h2-4,7-8,10-13,15,19H,5-6,9,14H2,1H3,(H,24,28)(H,25,29)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,24,25,14,18,23,3,7,4,6,26,10,2,13,5,22,11,9,28,19,27,21,12,8,29,20/E:(3,4)(7,8)(10,11)(12,13)/rA:29cCCCCCCCNCCCNCCCCCCCONCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s9;d19;s19;s21;s22;s23;s24;s25;s26;s22s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄N₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2744
Area:	612.519
Solvation:	-4.03861
Coulombic:	-50.1853

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	388.462
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.44
LogP (Chemaxon):	3.06

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