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Chemical ID: 7171744

CCn1cc(c(n1)C(=O)Nc2ccccc2)NC(=O)c3ccccc3C

Chemical ID:

7171744

Name [?]:

1-ethyl-4-(2-methylbenzoyl)amino-N-phenyl-pyrazole-3-carboxamide

SMILES [?]:

CCn1cc(c(n1)C(=O)Nc2ccccc2)NC(=O)c3ccccc3C

InChi [?]:

InChI=1/C20H20N4O2/c1-3-24-13-17(22-19(25)16-12-8-7-9-14(16)2)18(23-24)20(26)21-15-10-5-4-6-11-15/h4-13H,3H2,1-2H3,(H,21,26)(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,26,2,14,13,15,23,22,24,12,16,21,4,25,11,20,5,6,18,8,10,17,7,3,19,9/E:(5,6)(10,11)/rA:26nCCNCCCNCONCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s5;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₄O₂
All Atoms:	46
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.101
Area:	573.276
Solvation:	-2.23092
Coulombic:	-51.0512

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	348.399
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.07
LogP (Chemaxon):	3.64

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