4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide

C29H23N7O4 — CID 136642041

IUPAC4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide
SMILESCn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2cc(C(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C29H23N7O4/c1-36-27(23(16-31-36)26(30)38)35-34-24-21-13-12-17(28(39)32-19-8-4-2-5-9-19)14-18(21)15-22(25(24)37)29(40)33-20-10-6-3-7-11-20/h2-16,37H,1H3,(H2,30,38)(H,32,39)(H,33,40)/b35-34+
InChIKeySDGWNPHRPYYPEV-XAHDOWKMSA-N
MW533.55 g/mol
LogP5.30
Rot. Bonds7

About 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide

4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide (PubChem CID 136642041) has the molecular formula C29H23N7O4 and a molecular weight of 533.55 g/mol. Its IUPAC name is 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide
PubChem CID136642041
Molecular FormulaC29H23N7O4
Molecular Weight533.55 g/mol
Exact Mass533.18
IUPAC Name4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide
SMILESCn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2cc(C(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C29H23N7O4/c1-36-27(23(16-31-36)26(30)38)35-34-24-21-13-12-17(28(39)32-19-8-4-2-5-9-19)14-18(21)15-22(25(24)37)29(40)33-20-10-6-3-7-11-20/h2-16,37H,1H3,(H2,30,38)(H,32,39)(H,33,40)/b35-34+
InChIKeySDGWNPHRPYYPEV-XAHDOWKMSA-N
XLogP5.30
TPSA164.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate
CID 136642037
4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide
CID 163859214
2-N,7-N-bis(4-chlorophenyl)-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-bis(4-methylphenyl)naphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide;methane
CID 159447607
1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide
CID 136635199
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-2-N-naphthalen-1-yl-7-N-(pyridin-3-ylmethyl)naphthalene-2,7-dicarboxamide
CID 135843478
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-2-N-naphthalen-1-yl-7-N-(2-phenylethyl)naphthalene-2,7-dicarboxamide
CID 135843479
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide?
The IUPAC name of 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide (CID 136642041) is 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide?
The canonical SMILES for 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide is Cn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2cc(C(=O)Nc3ccccc3)ccc12.
What is the InChIKey of 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide?
The InChIKey is SDGWNPHRPYYPEV-XAHDOWKMSA-N. The full InChI is InChI=1S/C29H23N7O4/c1-36-27(23(16-31-36)26(30)38)35-34-24-21-13-12-17(28(39)32-19-8-4-2-5-9-19)14-18(21)15-22(25(24)37)29(40)33-20-10-6-3-7-11-20/h2-16,37H,1H3,(H2,30,38)(H,32,39)(H,33,40)/b35-34+.
What are the key properties of 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide?
4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide has a molecular weight of 533.55 g/mol, XLogP of 5.30, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 136642041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).