1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide

C21H18Cl2N4O2 — CID 59450134

About 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (PubChem CID 59450134) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
• PubChem CID: 59450134
• Molecular Formula: C21H18Cl2N4O2
• Molecular Weight: 429.31 g/mol
• Exact Mass: 428.08
• IUPAC Name: 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
• SMILES: Cc1ccc2c(c1)oc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c12
• InChI: InChI=1S/C21H18Cl2N4O2/c1-12-4-6-14-17(10-12)29-20-18(21(28)25-26-8-2-3-9-26)24-27(19(14)20)16-7-5-13(22)11-15(16)23/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,28)
• InChIKey: DABWKDFIQGVZIN-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.31
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?

The IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (CID 59450134) is 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?

The canonical SMILES for 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is Cc1ccc2c(c1)oc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c12.

What is the InChIKey of 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?

The InChIKey is DABWKDFIQGVZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c1-12-4-6-14-17(10-12)29-20-18(21(28)25-26-8-2-3-9-26)24-27(19(14)20)16-7-5-13(22)11-15(16)23/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,28).

What are the key properties of 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?

1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is sourced from PubChem (CID 59450134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).