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Chemical ID: 5883980

Cc1ccc(cc1)n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(CC(C)C)C(=O)C4CCCC4

Chemical ID:

5883980

Name [?]:

N-isobutyl-N-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]carbamoylmethyl]cyclopentanecarboxamide

SMILES [?]:

Cc1ccc(cc1)n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(CC(C)C)C(=O)C4CCCC4

InChi [?]:

InChI=1/C29H36N4O2/c1-20(2)18-32(29(35)24-12-8-9-13-24)19-26(34)30-28-27(23-10-6-5-7-11-23)22(4)31-33(28)25-16-14-21(3)15-17-25/h5-7,10-11,14-17,20,24H,8-9,12-13,18-19H2,1-4H3,(H,30,34)

InChi Info:

AuxInfo=1/1/N:27,28,1,13,17,16,18,33,34,15,19,32,35,3,7,4,6,25,23,26,2,11,14,31,5,21,10,9,29,20,12,24,8,22,30/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:35nCCCCCCCNCCCNCCCCCCCNCOCNCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s10;s14;d15;s16;d17;d14s18;s9;s20;d21;s21;s23;s24;s25;s26;s26;s24;d29;s29;s31;s32;s33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₆N₄O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0112
Area:	676.722
Solvation:	-4.90684
Coulombic:	-43.0265

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	472.622
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.08
LogP (Chemaxon):	5.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value