N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

C25H22ClN3O3 — CID 19458922

About N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (PubChem CID 19458922) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19458922
• Molecular Formula: C25H22ClN3O3
• Molecular Weight: 447.92 g/mol
• Exact Mass: 447.13
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(COc2ccc3c(c2)CCC3)o1
• InChI: InChI=1S/C25H22ClN3O3/c26-23-7-2-1-4-19(23)14-29-15-20(13-27-29)28-25(30)24-11-10-22(32-24)16-31-21-9-8-17-5-3-6-18(17)12-21/h1-2,4,7-13,15H,3,5-6,14,16H2,(H,28,30)
• InChIKey: PDBAQEVXBIUZCO-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.92
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (CID 19458922) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(COc2ccc3c(c2)CCC3)o1.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

The InChIKey is PDBAQEVXBIUZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c26-23-7-2-1-4-19(23)14-29-15-20(13-27-29)28-25(30)24-11-10-22(32-24)16-31-21-9-8-17-5-3-6-18(17)12-21/h1-2,4,7-13,15H,3,5-6,14,16H2,(H,28,30).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19458922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).