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Chemical ID: 5981464

CC(CCc1ccccc1)NC(=O)c2cc(nn2c3ccc(cc3)F)c4ccccc4

Chemical ID:

5981464

Name [?]:

2-(4-fluorophenyl)-N-(1-methyl-3-phenyl-propyl)-5-phenyl-pyrazole-3-carboxamide

SMILES [?]:

CC(CCc1ccccc1)NC(=O)c2cc(nn2c3ccc(cc3)F)c4ccccc4

InChi [?]:

InChI=1/C26H24FN3O/c1-19(12-13-20-8-4-2-5-9-20)28-26(31)25-18-24(21-10-6-3-7-11-21)29-30(25)23-16-14-22(27)15-17-23/h2-11,14-19H,12-13H2,1H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,8,29,7,9,28,30,6,10,27,31,3,4,21,23,20,24,15,2,5,26,22,19,16,14,12,25,11,17,18,13/E:(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)/rA:31cCCCCCCCCCCNCOCCCNNCCCCCCFCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s22;s16;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄FN₃O
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.8423
Area:	661.474
Solvation:	-3.6945
Coulombic:	-34.7948

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	413.487
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.29
LogP (Chemaxon):	5.72

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