3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide

C26H19ClN4O4 — CID 135785317

IUPAC3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1
InChIInChI=1S/C26H19ClN4O4/c1-14-5-4-6-16(11-14)28-26(34)24-23(17-7-2-3-8-22(17)35-24)29-25(33)20-13-19(30-31-20)18-12-15(27)9-10-21(18)32/h2-13,32H,1H3,(H,28,34)(H,29,33)(H,30,31)
InChIKeyZVFRZXBBNKHPHA-UHFFFAOYSA-N
MW486.92 g/mol
LogP5.99
Rot. Bonds5

About 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide

3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 135785317) has the molecular formula C26H19ClN4O4 and a molecular weight of 486.92 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID135785317
Molecular FormulaC26H19ClN4O4
Molecular Weight486.92 g/mol
Exact Mass486.11
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1
InChIInChI=1S/C26H19ClN4O4/c1-14-5-4-6-16(11-14)28-26(34)24-23(17-7-2-3-8-22(17)35-24)29-25(33)20-13-19(30-31-20)18-12-15(27)9-10-21(18)32/h2-13,32H,1H3,(H,28,34)(H,29,33)(H,30,31)
InChIKeyZVFRZXBBNKHPHA-UHFFFAOYSA-N
XLogP5.99
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.92
LogP ≤ 55.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-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

N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 2031281
3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110826674
N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
CID 110827101
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785513
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(3-chlorophenyl)-3-(heptylamino)-1-benzofuran-2-carboxamide
CID 110826934
N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039802
5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
CID 17010949
N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
CID 110827128

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide (CID 135785317) is 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide is Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZVFRZXBBNKHPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O4/c1-14-5-4-6-16(11-14)28-26(34)24-23(17-7-2-3-8-22(17)35-24)29-25(33)20-13-19(30-31-20)18-12-15(27)9-10-21(18)32/h2-13,32H,1H3,(H,28,34)(H,29,33)(H,30,31).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide?
3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 486.92 g/mol, XLogP of 5.99, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135785317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).