methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate

C30H24N4O4 — CID 156904374

IUPACmethyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate
SMILESCOC(=O)c1cccc(Oc2cc(N)cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c2)c1
InChIInChI=1S/C30H24N4O4/c1-37-30(36)21-11-8-14-25(15-21)38-26-17-22(31)16-23(18-26)32-29(35)27-19-34(24-12-6-3-7-13-24)33-28(27)20-9-4-2-5-10-20/h2-19H,31H2,1H3,(H,32,35)
InChIKeyZHNQLGVWULLMSA-UHFFFAOYSA-N
MW504.55 g/mol
LogP5.95
Rot. Bonds7

About methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate

methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate (PubChem CID 156904374) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate
PubChem CID156904374
Molecular FormulaC30H24N4O4
Molecular Weight504.55 g/mol
Exact Mass504.18
IUPAC Namemethyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate
SMILESCOC(=O)c1cccc(Oc2cc(N)cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c2)c1
InChIInChI=1S/C30H24N4O4/c1-37-30(36)21-11-8-14-25(15-21)38-26-17-22(31)16-23(18-26)32-29(35)27-19-34(24-12-6-3-7-13-24)33-28(27)20-9-4-2-5-10-20/h2-19H,31H2,1H3,(H,32,35)
InChIKeyZHNQLGVWULLMSA-UHFFFAOYSA-N
XLogP5.95
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate 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

N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904387
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281315
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 156904389
ethyl 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 1340433
N-[3-(3-cyanopropoxy)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55879339
3-(5-bromothiophen-2-yl)-N-(3-phenoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 142738692
3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
CID 26101953
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
methyl 2-[[3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55962642

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate?
The IUPAC name of methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate (CID 156904374) is methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate.
What is the SMILES notation for methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate?
The canonical SMILES for methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate is COC(=O)c1cccc(Oc2cc(N)cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c2)c1.
What is the InChIKey of methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate?
The InChIKey is ZHNQLGVWULLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4/c1-37-30(36)21-11-8-14-25(15-21)38-26-17-22(31)16-23(18-26)32-29(35)27-19-34(24-12-6-3-7-13-24)33-28(27)20-9-4-2-5-10-20/h2-19H,31H2,1H3,(H,32,35).
What are the key properties of methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate?
methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate has a molecular weight of 504.55 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-amino-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenoxy]benzoate is sourced from PubChem (CID 156904374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).