N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C22H28N4O3 — CID 95744220

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 95744220) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 95744220
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.22
• IUPAC Name: N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc(OCc2ccc(C(=O)Nc3cnn(CCN(C)C)c3)o2)cc1
• InChI: InChI=1S/C22H28N4O3/c1-16(2)17-5-7-19(8-6-17)28-15-20-9-10-21(29-20)22(27)24-18-13-23-26(14-18)12-11-25(3)4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,24,27)
• InChIKey: VGIUUEMGOCZHET-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 72.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 95744220) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)Nc3cnn(CCN(C)C)c3)o2)cc1.

What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is VGIUUEMGOCZHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16(2)17-5-7-19(8-6-17)28-15-20-9-10-21(29-20)22(27)24-18-13-23-26(14-18)12-11-25(3)4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,24,27).

What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 95744220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).