1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride

C17H24ClFN6O — CID 120804034

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride (PubChem CID 120804034) has the molecular formula C17H24ClFN6O and a molecular weight of 382.87 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
• PubChem CID: 120804034
• Molecular Formula: C17H24ClFN6O
• Molecular Weight: 382.87 g/mol
• Exact Mass: 382.17
• IUPAC Name: 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
• SMILES: Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)N1CCC(C)(CN)C1.Cl
• InChI: InChI=1S/C17H23FN6O.ClH/c1-12-20-21-22-24(12)15(9-13-3-5-14(18)6-4-13)16(25)23-8-7-17(2,10-19)11-23;/h3-6,15H,7-11,19H2,1-2H3;1H
• InChIKey: OJEOYVFBRVIXNB-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.87
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?

The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride (CID 120804034) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride.

What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?

The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)N1CCC(C)(CN)C1.Cl.

What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?

The InChIKey is OJEOYVFBRVIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O.ClH/c1-12-20-21-22-24(12)15(9-13-3-5-14(18)6-4-13)16(25)23-8-7-17(2,10-19)11-23;/h3-6,15H,7-11,19H2,1-2H3;1H.

What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120804034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).