3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride

C118H96ClN25O6 — CID 176542158

IUPAC3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride
SMILESCC(=O)c1nn(-c2cnc3ccccc3n2)c(N)c1C#N.CCc1c(-c2ccc(C)cc2)nn(-c2cnc3ccccc3n2)c1-c1ccc(O)cc1.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1cc(-c2ccccc2)nn1-c1ncnc2ccccc12.Cl.O=C=O.O=c1cc(-c2ccccc2)[nH]n1-c1nncc2ccccc12
InChIInChI=1S/C26H22N4O.C26H22N4.C18H14N4.C17H12N4O.C16H15N3O.C14H10N6O.CO2.ClH/c1-3-21-25(18-10-8-17(2)9-11-18)29-30(26(21)19-12-14-20(31)15-13-19)24-16-27-22-6-4-5-7-23(22)28-24;1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;1-13-11-17(14-7-3-2-4-8-14)21-22(13)18-15-9-5-6-10-16(15)19-12-20-18;22-16-10-15(12-6-2-1-3-7-12)20-21(16)17-14-9-5-4-8-13(14)11-18-19-17;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-8(21)13-9(6-15)14(16)20(19-13)12-7-17-10-4-2-3-5-11(10)18-12;2-1-3;/h4-16,31H,3H2,1-2H3;3-18,28H,2H2,1H3;2-12H,1H3;1-11,20H;4-10H,3H2,1-2H3;2-5,7H,16H2,1H3;;1H
InChIKeyJFXQBXYSJRINLL-UHFFFAOYSA-N
MW1995.69 g/mol
LogP23.18
Rot. Bonds18

About 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride

3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride (PubChem CID 176542158) has the molecular formula C118H96ClN25O6 and a molecular weight of 1995.69 g/mol. Its IUPAC name is 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride
PubChem CID176542158
Molecular FormulaC118H96ClN25O6
Molecular Weight1995.69 g/mol
Exact Mass1993.77
IUPAC Name3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride
SMILESCC(=O)c1nn(-c2cnc3ccccc3n2)c(N)c1C#N.CCc1c(-c2ccc(C)cc2)nn(-c2cnc3ccccc3n2)c1-c1ccc(O)cc1.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1cc(-c2ccccc2)nn1-c1ncnc2ccccc12.Cl.O=C=O.O=c1cc(-c2ccccc2)[nH]n1-c1nncc2ccccc12
InChIInChI=1S/C26H22N4O.C26H22N4.C18H14N4.C17H12N4O.C16H15N3O.C14H10N6O.CO2.ClH/c1-3-21-25(18-10-8-17(2)9-11-18)29-30(26(21)19-12-14-20(31)15-13-19)24-16-27-22-6-4-5-7-23(22)28-24;1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;1-13-11-17(14-7-3-2-4-8-14)21-22(13)18-15-9-5-6-10-16(15)19-12-20-18;22-16-10-15(12-6-2-1-3-7-12)20-21(16)17-14-9-5-4-8-13(14)11-18-19-17;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-8(21)13-9(6-15)14(16)20(19-13)12-7-17-10-4-2-3-5-11(10)18-12;2-1-3;/h4-16,31H,3H2,1-2H3;3-18,28H,2H2,1H3;2-12H,1H3;1-11,20H;4-10H,3H2,1-2H3;2-5,7H,16H2,1H3;;1H
InChIKeyJFXQBXYSJRINLL-UHFFFAOYSA-N
XLogP23.18
TPSA406.14 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.69
LogP ≤ 523.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride with MolForge

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Related Compounds

N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone
CID 158563658
N-(4-cyano-1H-pyrazol-5-yl)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-(1H-imidazol-2-yl)-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(5-methyl-1H-pyrazol-3-yl)naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
CID 158592711
3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride
CID 176534369

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?
The IUPAC name of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride (CID 176542158) is 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride is CC(=O)c1nn(-c2cnc3ccccc3n2)c(N)c1C#N.CCc1c(-c2ccc(C)cc2)nn(-c2cnc3ccccc3n2)c1-c1ccc(O)cc1.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1cc(-c2ccccc2)nn1-c1ncnc2ccccc12.Cl.O=C=O.O=c1cc(-c2ccccc2)[nH]n1-c1nncc2ccccc12.
What is the InChIKey of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?
The InChIKey is JFXQBXYSJRINLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O.C26H22N4.C18H14N4.C17H12N4O.C16H15N3O.C14H10N6O.CO2.ClH/c1-3-21-25(18-10-8-17(2)9-11-18)29-30(26(21)19-12-14-20(31)15-13-19)24-16-27-22-6-4-5-7-23(22)28-24;1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;1-13-11-17(14-7-3-2-4-8-14)21-22(13)18-15-9-5-6-10-16(15)19-12-20-18;22-16-10-15(12-6-2-1-3-7-12)20-21(16)17-14-9-5-4-8-13(14)11-18-19-17;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-8(21)13-9(6-15)14(16)20(19-13)12-7-17-10-4-2-3-5-11(10)18-12;2-1-3;/h4-16,31H,3H2,1-2H3;3-18,28H,2H2,1H3;2-12H,1H3;1-11,20H;4-10H,3H2,1-2H3;2-5,7H,16H2,1H3;;1H.
What are the key properties of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?
3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride has a molecular weight of 1995.69 g/mol, XLogP of 23.18, 18 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 176542158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).