N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H28ClN5O3 — CID 119800877

About N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119800877) has the molecular formula C17H28ClN5O3 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
• PubChem CID: 119800877
• Molecular Formula: C17H28ClN5O3
• Molecular Weight: 385.90 g/mol
• Exact Mass: 385.19
• IUPAC Name: N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
• SMILES: CC1CN(C(=O)Cn2cc(NC(=O)CC3CCCN3)cn2)CC(C)O1.Cl
• InChI: InChI=1S/C17H27N5O3.ClH/c1-12-8-21(9-13(2)25-12)17(24)11-22-10-15(7-19-22)20-16(23)6-14-4-3-5-18-14;/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3,(H,20,23);1H
• InChIKey: BZCLBKOEAYHMCP-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.90
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?

The IUPAC name of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119800877) is N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

What is the SMILES notation for N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?

The canonical SMILES for N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC1CN(C(=O)Cn2cc(NC(=O)CC3CCCN3)cn2)CC(C)O1.Cl.

What is the InChIKey of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?

The InChIKey is BZCLBKOEAYHMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3.ClH/c1-12-8-21(9-13(2)25-12)17(24)11-22-10-15(7-19-22)20-16(23)6-14-4-3-5-18-14;/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3,(H,20,23);1H.

What are the key properties of N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?

N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119800877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).