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Chemical ID: 5981473

Chemical ID:

5981473

Name [?]:

2-(4-methoxyphenyl)-5-phenyl-N-propyl-pyrazole-3-carboxamide

SMILES [?]:

CCCNC(=O)c1cc(nn1c2ccc(cc2)OC)c3ccccc3

InChi [?]:

InChI=1/C20H21N3O2/c1-3-13-21-20(24)19-14-18(15-7-5-4-6-8-15)22-23(19)16-9-11-17(25-2)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,19,2,23,22,24,21,25,13,17,14,16,3,8,20,12,15,9,7,5,4,10,11,6,18/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCNCOCCCNNCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s9;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁N₃O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3297
Area:	567.945
Solvation:	-3.86895
Coulombic:	-36.2854

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	335.4
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.13
LogP (Chemaxon):	3.31

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value