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

C25H17ClN4O4 — CID 2031281

IUPACN-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C25H17ClN4O4/c26-14-6-5-7-15(12-14)27-25(33)23-22(17-9-2-4-11-21(17)34-23)28-24(32)19-13-18(29-30-19)16-8-1-3-10-20(16)31/h1-13,31H,(H,27,33)(H,28,32)(H,29,30)
InChIKeyWIHCPYQHOJNOCS-UHFFFAOYSA-N
MW472.89 g/mol
LogP5.69
Rot. Bonds5

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

N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2031281) has the molecular formula C25H17ClN4O4 and a molecular weight of 472.89 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2031281
Molecular FormulaC25H17ClN4O4
Molecular Weight472.89 g/mol
Exact Mass472.09
IUPAC NameN-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C25H17ClN4O4/c26-14-6-5-7-15(12-14)27-25(33)23-22(17-9-2-4-11-21(17)34-23)28-24(32)19-13-18(29-30-19)16-8-1-3-10-20(16)31/h1-13,31H,(H,27,33)(H,28,32)(H,29,30)
InChIKeyWIHCPYQHOJNOCS-UHFFFAOYSA-N
XLogP5.69
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 55.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 2031281) is N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WIHCPYQHOJNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O4/c26-14-6-5-7-15(12-14)27-25(33)23-22(17-9-2-4-11-21(17)34-23)28-24(32)19-13-18(29-30-19)16-8-1-3-10-20(16)31/h1-13,31H,(H,27,33)(H,28,32)(H,29,30).
What are the key properties of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 472.89 g/mol, XLogP of 5.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2031281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).