1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C19H26N6O — CID 126948421

About 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948421) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126948421
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: O=C1CCCN1c1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1
• InChI: InChI=1S/C19H26N6O/c26-19-6-3-8-24(19)15-10-20-25(12-15)14-7-9-23(11-14)13-18-16-4-1-2-5-17(16)21-22-18/h10,12,14H,1-9,11,13H2,(H,21,22)
• InChIKey: KSAHNSZTUNAFPU-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948421) is 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1.

What is the InChIKey of 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is KSAHNSZTUNAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19-6-3-8-24(19)15-10-20-25(12-15)14-7-9-23(11-14)13-18-16-4-1-2-5-17(16)21-22-18/h10,12,14H,1-9,11,13H2,(H,21,22).

What are the key properties of 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 354.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).