5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide

C22H24Cl2N4O2 — CID 55332973

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 55332973) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
• PubChem CID: 55332973
• Molecular Formula: C22H24Cl2N4O2
• Molecular Weight: 447.37 g/mol
• Exact Mass: 446.13
• IUPAC Name: 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
• SMILES: Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC(c1ccco1)N1CCCC1
• InChI: InChI=1S/C22H24Cl2N4O2/c1-15-20(21(24)28(26-15)14-16-7-2-3-8-17(16)23)22(29)25-13-18(19-9-6-12-30-19)27-10-4-5-11-27/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,25,29)
• InChIKey: PHDKUGDLGWYEBD-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.37
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?

The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide (CID 55332973) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC(c1ccco1)N1CCCC1.

What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?

The InChIKey is PHDKUGDLGWYEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-15-20(21(24)28(26-15)14-16-7-2-3-8-17(16)23)22(29)25-13-18(19-9-6-12-30-19)27-10-4-5-11-27/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,25,29).

What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?

5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 447.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55332973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).