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Chemical ID: 5986794

CCCNC(=O)c1cc(nn1c2cccc(c2)[N+](=O)[O-])c3ccccc3F

Chemical ID:

5986794

Name [?]:

5-(2-fluorophenyl)-2-(3-nitrophenyl)-N-propyl-pyrazole-3-carboxamide

SMILES [?]:

CCCNC(=O)c1cc(nn1c2cccc(c2)[N+](=O)[O-])c3ccccc3F

InChi [?]:

InChI=1/C19H17FN4O3/c1-2-10-21-19(25)18-12-17(15-8-3-4-9-16(15)20)22-23(18)13-6-5-7-14(11-13)24(26)27/h3-9,11-12H,2,10H2,1H3,(H,21,25)

InChi Info:

AuxInfo=1/1/N:1,2,23,24,14,13,15,22,25,3,17,8,12,16,21,26,9,7,5,27,4,10,11,18,6,19,20/E:(26,27)/CRV:24.5/rA:27nCCCNCOCCCNNCCCCCCN+OO-CCCCCCF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s9;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇FN₄O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	5.47547
Area:	583.081
Solvation:	-9.10154
Coulombic:	-43.1312

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	368.362
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.15
LogP (Chemaxon):	3.65

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