5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid

C34H31N3O6 — CID 127045715

IUPAC5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C34H31N3O6/c1-4-41-26-16-10-23(11-17-26)32-30(35-33(38)24-12-18-28(19-13-24)42-22(2)3)31(34(39)40)36-37(32)25-14-20-29(21-15-25)43-27-8-6-5-7-9-27/h5-22H,4H2,1-3H3,(H,35,38)(H,39,40)
InChIKeyYGMNUAIEAAWEDE-UHFFFAOYSA-N
MW577.64 g/mol
LogP7.47
Rot. Bonds11

About 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid

5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid (PubChem CID 127045715) has the molecular formula C34H31N3O6 and a molecular weight of 577.64 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid
PubChem CID127045715
Molecular FormulaC34H31N3O6
Molecular Weight577.64 g/mol
Exact Mass577.22
IUPAC Name5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C34H31N3O6/c1-4-41-26-16-10-23(11-17-26)32-30(35-33(38)24-12-18-28(19-13-24)42-22(2)3)31(34(39)40)36-37(32)25-14-20-29(21-15-25)43-27-8-6-5-7-9-27/h5-22H,4H2,1-3H3,(H,35,38)(H,39,40)
InChIKeyYGMNUAIEAAWEDE-UHFFFAOYSA-N
XLogP7.47
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid (CID 127045715) is 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid is CCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid?
The InChIKey is YGMNUAIEAAWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O6/c1-4-41-26-16-10-23(11-17-26)32-30(35-33(38)24-12-18-28(19-13-24)42-22(2)3)31(34(39)40)36-37(32)25-14-20-29(21-15-25)43-27-8-6-5-7-9-27/h5-22H,4H2,1-3H3,(H,35,38)(H,39,40).
What are the key properties of 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid?
5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid has a molecular weight of 577.64 g/mol, XLogP of 7.47, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-4-[(4-propan-2-yloxybenzoyl)amino]pyrazole-3-carboxylic acid is sourced from PubChem (CID 127045715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).