N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide

C29H25N3O5 — CID 135785419

IUPACN-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)cc1
InChIInChI=1S/C29H25N3O5/c1-4-36-19-11-9-18(10-12-19)27(34)28-26(20-7-5-6-8-24(20)37-28)30-29(35)22-15-21(31-32-22)25-17(3)13-16(2)14-23(25)33/h5-15,33H,4H2,1-3H3,(H,30,35)(H,31,32)
InChIKeyYYWYNUZPGSATFR-UHFFFAOYSA-N
MW495.54 g/mol
LogP6.03
Rot. Bonds7

About N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide

N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135785419) has the molecular formula C29H25N3O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135785419
Molecular FormulaC29H25N3O5
Molecular Weight495.54 g/mol
Exact Mass495.18
IUPAC NameN-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)cc1
InChIInChI=1S/C29H25N3O5/c1-4-36-19-11-9-18(10-12-19)27(34)28-26(20-7-5-6-8-24(20)37-28)30-29(35)22-15-21(31-32-22)25-17(3)13-16(2)14-23(25)33/h5-15,33H,4H2,1-3H3,(H,30,35)(H,31,32)
InChIKeyYYWYNUZPGSATFR-UHFFFAOYSA-N
XLogP6.03
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.54
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide 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

2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785513
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880073
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848100
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 135785419) is N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)cc1.
What is the InChIKey of N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YYWYNUZPGSATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5/c1-4-36-19-11-9-18(10-12-19)27(34)28-26(20-7-5-6-8-24(20)37-28)30-29(35)22-15-21(31-32-22)25-17(3)13-16(2)14-23(25)33/h5-15,33H,4H2,1-3H3,(H,30,35)(H,31,32).
What are the key properties of N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 6.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135785419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).