N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide

C21H30N4O2 — CID 91840720

About N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide (PubChem CID 91840720) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide
• PubChem CID: 91840720
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide
• SMILES: CCn1nc(CO)c2c1CCN(CC(=O)NC(C)c1cc(C)ccc1C)C2
• InChI: InChI=1S/C21H30N4O2/c1-5-25-20-8-9-24(11-18(20)19(13-26)23-25)12-21(27)22-16(4)17-10-14(2)6-7-15(17)3/h6-7,10,16,26H,5,8-9,11-13H2,1-4H3,(H,22,27)
• InChIKey: PTIWABJDHBMTAJ-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide (CID 91840720) is N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide is CCn1nc(CO)c2c1CCN(CC(=O)NC(C)c1cc(C)ccc1C)C2.

What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?

The InChIKey is PTIWABJDHBMTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-25-20-8-9-24(11-18(20)19(13-26)23-25)12-21(27)22-16(4)17-10-14(2)6-7-15(17)3/h6-7,10,16,26H,5,8-9,11-13H2,1-4H3,(H,22,27).

What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?

N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 91840720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).