6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine

C77H91F11N26O13S — CID 160997291

IUPAC6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine
SMILESC.C.C.C.C.C.COc1ccc(-c2cc(C(N)=O)nn2C)nc1.Cn1nc(C(N)=O)cc1-c1ccc(C(N)=O)cn1.Cn1nc(C(N)=O)cc1-c1ccc(O)cn1.Cn1nc(C(N)=O)cc1-c1ccc(OCc2ccccc2)cn1.Cn1nc(C(N)=O)cc1-c1ccc(OSOOC(F)(F)F)cn1.FF.FF.FF.FF.[C-]#[N+]c1ccc(-c2cc(C(N)=O)nn2C)nc1
InChIInChI=1S/C17H16N4O2.C11H9F3N4O4S.C11H11N5O2.C11H9N5O.C11H12N4O2.C10H10N4O2.6CH4.4F2/c1-21-16(9-15(20-21)17(18)22)14-8-7-13(10-19-14)23-11-12-5-3-2-4-6-12;1-18-9(4-8(17-18)10(15)19)7-3-2-6(5-16-7)20-23-22-21-11(12,13)14;1-16-9(4-8(15-16)11(13)18)7-3-2-6(5-14-7)10(12)17;1-13-7-3-4-8(14-6-7)10-5-9(11(12)17)15-16(10)2;1-15-10(5-9(14-15)11(12)16)8-4-3-7(17-2)6-13-8;1-14-9(4-8(13-14)10(11)16)7-3-2-6(15)5-12-7;;;;;;;4*1-2/h2-10H,11H2,1H3,(H2,18,22);2-5H,1H3,(H2,15,19);2-5H,1H3,(H2,12,17)(H2,13,18);3-6H,2H3,(H2,12,17);3-6H,1-2H3,(H2,12,16);2-5,15H,1H3,(H2,11,16);6*1H4;;;;
InChIKeyTVKLFGZEECNSGM-UHFFFAOYSA-N
MW1829.79 g/mol
LogP13.02
Rot. Bonds21

About 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine

6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine (PubChem CID 160997291) has the molecular formula C77H91F11N26O13S and a molecular weight of 1829.79 g/mol. Its IUPAC name is 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine.

Molecular Properties

Compound Name6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine
PubChem CID160997291
Molecular FormulaC77H91F11N26O13S
Molecular Weight1829.79 g/mol
Exact Mass1828.68
IUPAC Name6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine
SMILESC.C.C.C.C.C.COc1ccc(-c2cc(C(N)=O)nn2C)nc1.Cn1nc(C(N)=O)cc1-c1ccc(C(N)=O)cn1.Cn1nc(C(N)=O)cc1-c1ccc(O)cn1.Cn1nc(C(N)=O)cc1-c1ccc(OCc2ccccc2)cn1.Cn1nc(C(N)=O)cc1-c1ccc(OSOOC(F)(F)F)cn1.FF.FF.FF.FF.[C-]#[N+]c1ccc(-c2cc(C(N)=O)nn2C)nc1
InChIInChI=1S/C17H16N4O2.C11H9F3N4O4S.C11H11N5O2.C11H9N5O.C11H12N4O2.C10H10N4O2.6CH4.4F2/c1-21-16(9-15(20-21)17(18)22)14-8-7-13(10-19-14)23-11-12-5-3-2-4-6-12;1-18-9(4-8(17-18)10(15)19)7-3-2-6(5-16-7)20-23-22-21-11(12,13)14;1-16-9(4-8(15-16)11(13)18)7-3-2-6(5-14-7)10(12)17;1-13-7-3-4-8(14-6-7)10-5-9(11(12)17)15-16(10)2;1-15-10(5-9(14-15)11(12)16)8-4-3-7(17-2)6-13-8;1-14-9(4-8(13-14)10(11)16)7-3-2-6(15)5-12-7;;;;;;;4*1-2/h2-10H,11H2,1H3,(H2,18,22);2-5H,1H3,(H2,15,19);2-5H,1H3,(H2,12,17)(H2,13,18);3-6H,2H3,(H2,12,17);3-6H,1-2H3,(H2,12,16);2-5,15H,1H3,(H2,11,16);6*1H4;;;;
InChIKeyTVKLFGZEECNSGM-UHFFFAOYSA-N
XLogP13.02
TPSA556.63 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001829.79
LogP ≤ 513.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine with MolForge

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Related Compounds

N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
CID 59003625
1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
CID 162221142
5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 141118128
ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
CID 23143493
[2-(1,3-dioxoisoindol-2-yl)-2-methylpropyl] 4-phenylmethoxybenzoate
CID 10550523
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate
CID 175233380
benzyl 3-(5-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171969879
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone
CID 174443968
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
CID 130229588

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine?
The IUPAC name of 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine (CID 160997291) is 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine.
What is the SMILES notation for 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine?
The canonical SMILES for 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine is C.C.C.C.C.C.COc1ccc(-c2cc(C(N)=O)nn2C)nc1.Cn1nc(C(N)=O)cc1-c1ccc(C(N)=O)cn1.Cn1nc(C(N)=O)cc1-c1ccc(O)cn1.Cn1nc(C(N)=O)cc1-c1ccc(OCc2ccccc2)cn1.Cn1nc(C(N)=O)cc1-c1ccc(OSOOC(F)(F)F)cn1.FF.FF.FF.FF.[C-]#[N+]c1ccc(-c2cc(C(N)=O)nn2C)nc1.
What is the InChIKey of 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine?
The InChIKey is TVKLFGZEECNSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.C11H9F3N4O4S.C11H11N5O2.C11H9N5O.C11H12N4O2.C10H10N4O2.6CH4.4F2/c1-21-16(9-15(20-21)17(18)22)14-8-7-13(10-19-14)23-11-12-5-3-2-4-6-12;1-18-9(4-8(17-18)10(15)19)7-3-2-6(5-16-7)20-23-22-21-11(12,13)14;1-16-9(4-8(15-16)11(13)18)7-3-2-6(5-14-7)10(12)17;1-13-7-3-4-8(14-6-7)10-5-9(11(12)17)15-16(10)2;1-15-10(5-9(14-15)11(12)16)8-4-3-7(17-2)6-13-8;1-14-9(4-8(13-14)10(11)16)7-3-2-6(15)5-12-7;;;;;;;4*1-2/h2-10H,11H2,1H3,(H2,18,22);2-5H,1H3,(H2,15,19);2-5H,1H3,(H2,12,17)(H2,13,18);3-6H,2H3,(H2,12,17);3-6H,1-2H3,(H2,12,16);2-5,15H,1H3,(H2,11,16);6*1H4;;;;.
What are the key properties of 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine?
6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine has a molecular weight of 1829.79 g/mol, XLogP of 13.02, 21 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide;5-(5-hydroxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxamide;methane;5-(5-methoxy-2-pyridinyl)-1-methylpyrazole-3-carboxamide;1-methyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide;1-methyl-5-[5-(trifluoromethylperoxysulfanyloxy)-2-pyridinyl]pyrazole-3-carboxamide;molecular fluorine is sourced from PubChem (CID 160997291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).