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Chemical ID: 5985465

Cc1ccc(cc1)n2c(cc(n2)c3cccn3C)C(=O)NCCN4CCCC4

Chemical ID:

5985465

Name [?]:

5-(1-methylpyrrol-2-yl)-2-(p-tolyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(cc1)n2c(cc(n2)c3cccn3C)C(=O)NCCN4CCCC4

InChi [?]:

InChI=1/C22H27N5O/c1-17-7-9-18(10-8-17)27-21(16-19(24-27)20-6-5-12-25(20)2)22(28)23-11-15-26-13-3-4-14-26/h5-10,12,16H,3-4,11,13-15H2,1-2H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,18,26,27,15,14,3,7,4,6,22,16,25,28,23,10,2,5,11,13,9,19,21,12,17,24,8,20/E:(3,4)(7,8)(9,10)(13,14)/rA:28nCCCCCCCNCCCNCCCCNCCONCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;s17;s9;d19;s19;s21;s22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇N₅O
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9611
Area:	618.757
Solvation:	-3.50786
Coulombic:	-38.6959

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	377.483
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.35
LogP (Chemaxon):	2.54

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