N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C23H21ClN4O2 — CID 43070041

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 43070041) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
• PubChem CID: 43070041
• Molecular Formula: C23H21ClN4O2
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.14
• IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cnn1-c1ccccn1
• InChI: InChI=1S/C23H21ClN4O2/c1-15(2)22-19(14-27-28(22)21-5-3-4-12-25-21)23(29)26-13-18-10-11-20(30-18)16-6-8-17(24)9-7-16/h3-12,14-15H,13H2,1-2H3,(H,26,29)
• InChIKey: PHOFHBGHPMBFFA-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 43070041) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cnn1-c1ccccn1.

What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

The InChIKey is PHOFHBGHPMBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15(2)22-19(14-27-28(22)21-5-3-4-12-25-21)23(29)26-13-18-10-11-20(30-18)16-6-8-17(24)9-7-16/h3-12,14-15H,13H2,1-2H3,(H,26,29).

What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 43070041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).