5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

C98H81N23O15 — CID 158081242

IUPAC5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1cnn(C)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.Cn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(=O)N2CCCCC2)cc2ccccc12
InChIInChI=1S/C28H21N5O4.C26H19N7O4.C23H19N5O4.C21H22N6O3/c1-37-28(36)23-17-29-33(20-13-6-3-7-14-20)26(23)32-31-24-21-15-9-8-10-18(21)16-22(25(24)34)27(35)30-19-11-4-2-5-12-19;1-37-25(36)20-15-29-33(26-27-12-7-13-28-26)23(20)32-31-21-18-11-6-5-8-16(18)14-19(22(21)34)24(35)30-17-9-3-2-4-10-17;1-28-21(18(13-24-28)23(31)32-2)27-26-19-16-11-7-6-8-14(16)12-17(20(19)29)22(30)25-15-9-4-3-5-10-15;1-26-20(16(12-23-26)19(22)29)25-24-17-14-8-4-3-7-13(14)11-15(18(17)28)21(30)27-9-5-2-6-10-27/h2-17,34H,1H3,(H,30,35);2-15,34H,1H3,(H,30,35);3-13,29H,1-2H3,(H,25,30);3-4,7-8,11-12,28H,2,5-6,9-10H2,1H3,(H2,22,29)/b2*32-31+;27-26+;25-24+
InChIKeyFMZBRAXLBPTKBH-WHSFTQBXSA-N
MW1820.87 g/mol
LogP19.31
Rot. Bonds21

About 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate

5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (PubChem CID 158081242) has the molecular formula C98H81N23O15 and a molecular weight of 1820.87 g/mol. Its IUPAC name is 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
PubChem CID158081242
Molecular FormulaC98H81N23O15
Molecular Weight1820.87 g/mol
Exact Mass1819.63
IUPAC Name5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1cnn(C)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.Cn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(=O)N2CCCCC2)cc2ccccc12
InChIInChI=1S/C28H21N5O4.C26H19N7O4.C23H19N5O4.C21H22N6O3/c1-37-28(36)23-17-29-33(20-13-6-3-7-14-20)26(23)32-31-24-21-15-9-8-10-18(21)16-22(25(24)34)27(35)30-19-11-4-2-5-12-19;1-37-25(36)20-15-29-33(26-27-12-7-13-28-26)23(20)32-31-21-18-11-6-5-8-16(18)14-19(22(21)34)24(35)30-17-9-3-2-4-10-17;1-28-21(18(13-24-28)23(31)32-2)27-26-19-16-11-7-6-8-14(16)12-17(20(19)29)22(30)25-15-9-4-3-5-10-15;1-26-20(16(12-23-26)19(22)29)25-24-17-14-8-4-3-7-13(14)11-15(18(17)28)21(30)27-9-5-2-6-10-27/h2-17,34H,1H3,(H,30,35);2-15,34H,1H3,(H,30,35);3-13,29H,1-2H3,(H,25,30);3-4,7-8,11-12,28H,2,5-6,9-10H2,1H3,(H2,22,29)/b2*32-31+;27-26+;25-24+
InChIKeyFMZBRAXLBPTKBH-WHSFTQBXSA-N
XLogP19.31
TPSA506.46 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001820.87
LogP ≤ 519.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate with MolForge

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Related Compounds

Methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 136642039
4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 158558521
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(3-isocyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]naphthalene-2-carboxamide
CID 58301098
N-[3,5-bis[[2-hydroxy-3-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-1-carbonyl]amino]phenyl]-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxynaphthalene-1-carboxamide
CID 58330785
N-[3,5-bis[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 58527874
4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 68200477
N-[3,5-bis[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 87197494
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 88848757
N-[3,5-bis[[3-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxynaphthalene-1-carbonyl]amino]phenyl]-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxynaphthalene-1-carboxamide
CID 88926715
Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
CID 123221134
N-(3-acetylphenyl)-7-[5-[[4-[(4-cyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2-hydroxyphenyl]-4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carboxamide
CID 123364532
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
CID 123885262

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The IUPAC name of 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate (CID 158081242) is 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1cnn(C)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.Cn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(=O)N2CCCCC2)cc2ccccc12.
What is the InChIKey of 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
The InChIKey is FMZBRAXLBPTKBH-WHSFTQBXSA-N. The full InChI is InChI=1S/C28H21N5O4.C26H19N7O4.C23H19N5O4.C21H22N6O3/c1-37-28(36)23-17-29-33(20-13-6-3-7-14-20)26(23)32-31-24-21-15-9-8-10-18(21)16-22(25(24)34)27(35)30-19-11-4-2-5-12-19;1-37-25(36)20-15-29-33(26-27-12-7-13-28-26)23(20)32-31-21-18-11-6-5-8-16(18)14-19(22(21)34)24(35)30-17-9-3-2-4-10-17;1-28-21(18(13-24-28)23(31)32-2)27-26-19-16-11-7-6-8-14(16)12-17(20(19)29)22(30)25-15-9-4-3-5-10-15;1-26-20(16(12-23-26)19(22)29)25-24-17-14-8-4-3-7-13(14)11-15(18(17)28)21(30)27-9-5-2-6-10-27/h2-17,34H,1H3,(H,30,35);2-15,34H,1H3,(H,30,35);3-13,29H,1-2H3,(H,25,30);3-4,7-8,11-12,28H,2,5-6,9-10H2,1H3,(H2,22,29)/b2*32-31+;27-26+;25-24+.
What are the key properties of 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate?
5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate has a molecular weight of 1820.87 g/mol, XLogP of 19.31, 21 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-3-(piperidine-1-carbonyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxamide;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 158081242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).