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Chemical ID: 5981600

Chemical ID:

5981600

Name [?]:

5-(2-fluorophenyl)-N-(2-methoxyethyl)-2-phenyl-pyrazole-3-carboxamide

SMILES [?]:

COCCNC(=O)c1cc(nn1c2ccccc2)c3ccccc3F

InChi [?]:

InChI=1/C19H18FN3O2/c1-25-12-11-21-19(24)18-13-17(15-9-5-6-10-16(15)20)22-23(18)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,21,22,14,18,20,23,4,3,9,13,19,24,10,8,6,25,5,11,12,7,2/E:(3,4)(7,8)/rA:25nCOCCNCOCCCNNCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s10;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈FN₃O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.09665
Area:	550.513
Solvation:	-5.66619
Coulombic:	-39.3659

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	339.364
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.41
LogP (Chemaxon):	2.72

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