N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C20H22ClN5O2 — CID 166262730

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 166262730) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 166262730
• Molecular Formula: C20H22ClN5O2
• Molecular Weight: 399.88 g/mol
• Exact Mass: 399.15
• IUPAC Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: Cc1cn2nc(C(=O)NCC(c3cccc(Cl)c3)N3CCCC3)cc2c(=O)[nH]1
• InChI: InChI=1S/C20H22ClN5O2/c1-13-12-26-17(20(28)23-13)10-16(24-26)19(27)22-11-18(25-7-2-3-8-25)14-5-4-6-15(21)9-14/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H,22,27)(H,23,28)
• InChIKey: XZQWXAMQLWPCFX-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 82.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.88
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 166262730) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCC(c3cccc(Cl)c3)N3CCCC3)cc2c(=O)[nH]1.

What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is XZQWXAMQLWPCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-13-12-26-17(20(28)23-13)10-16(24-26)19(27)22-11-18(25-7-2-3-8-25)14-5-4-6-15(21)9-14/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H,22,27)(H,23,28).

What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 166262730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).