1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C20H21N5O2 — CID 123789662

About 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 123789662) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• PubChem CID: 123789662
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• SMILES: C=C1N(C)CCC1(O)C#Cc1ccnc(-n2nc(C(N)=O)c3c2CCC3)c1
• InChI: InChI=1S/C20H21N5O2/c1-13-20(27,9-11-24(13)2)8-6-14-7-10-22-17(12-14)25-16-5-3-4-15(16)18(23-25)19(21)26/h7,10,12,27H,1,3-5,9,11H2,2H3,(H2,21,26)
• InChIKey: ILQXMMWPNVSHFB-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 97.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The IUPAC name of 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 123789662) is 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The canonical SMILES for 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is C=C1N(C)CCC1(O)C#Cc1ccnc(-n2nc(C(N)=O)c3c2CCC3)c1.

What is the InChIKey of 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The InChIKey is ILQXMMWPNVSHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-20(27,9-11-24(13)2)8-6-14-7-10-22-17(12-14)25-16-5-3-4-15(16)18(23-25)19(21)26/h7,10,12,27H,1,3-5,9,11H2,2H3,(H2,21,26).

What are the key properties of 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 123789662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).