N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

C21H19Cl2N5O2 — CID 19467768

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 19467768) has the molecular formula C21H19Cl2N5O2 and a molecular weight of 444.32 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
• PubChem CID: 19467768
• Molecular Formula: C21H19Cl2N5O2
• Molecular Weight: 444.32 g/mol
• Exact Mass: 443.09
• IUPAC Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
• SMILES: Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccn(Cc4c(Cl)cccc4Cl)n3)o2)n1
• InChI: InChI=1S/C21H19Cl2N5O2/c1-13-10-14(2)28(25-13)11-15-6-7-19(30-15)21(29)24-20-8-9-27(26-20)12-16-17(22)4-3-5-18(16)23/h3-10H,11-12H2,1-2H3,(H,24,26,29)
• InChIKey: NWVCHPUSRAPNFG-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 77.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.32
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 19467768) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccn(Cc4c(Cl)cccc4Cl)n3)o2)n1.

What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?

The InChIKey is NWVCHPUSRAPNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2/c1-13-10-14(2)28(25-13)11-15-6-7-19(30-15)21(29)24-20-8-9-27(26-20)12-16-17(22)4-3-5-18(16)23/h3-10H,11-12H2,1-2H3,(H,24,26,29).

What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 444.32 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19467768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).