N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C21H24ClN3O3 — CID 19322731

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19322731) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19322731
• Molecular Formula: C21H24ClN3O3
• Molecular Weight: 401.89 g/mol
• Exact Mass: 401.15
• IUPAC Name: N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NCc3c(Cl)cnn3C)o2)c1
• InChI: InChI=1S/C21H24ClN3O3/c1-13(2)16-7-5-14(3)9-20(16)27-12-15-6-8-19(28-15)21(26)23-11-18-17(22)10-24-25(18)4/h5-10,13H,11-12H2,1-4H3,(H,23,26)
• InChIKey: JGDBQWCZUAFCMU-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.89
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19322731) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NCc3c(Cl)cnn3C)o2)c1.

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

The InChIKey is JGDBQWCZUAFCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-13(2)16-7-5-14(3)9-20(16)27-12-15-6-8-19(28-15)21(26)23-11-18-17(22)10-24-25(18)4/h5-10,13H,11-12H2,1-4H3,(H,23,26).

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

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 401.89 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19322731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).