2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride

C16H29Cl2N5O — CID 120771614

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
SMILESCC1(CN)CCN(CC(=O)Nc2ccnn2C2CCCC2)C1.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-16(11-17)7-9-20(12-16)10-15(22)19-14-6-8-18-21(14)13-4-2-3-5-13;;/h6,8,13H,2-5,7,9-12,17H2,1H3,(H,19,22);2*1H
InChIKeyQGXOFAGWXBXMHE-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.45
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride (PubChem CID 120771614) has the molecular formula C16H29Cl2N5O and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
PubChem CID120771614
Molecular FormulaC16H29Cl2N5O
Molecular Weight378.35 g/mol
Exact Mass377.17
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
SMILESCC1(CN)CCN(CC(=O)Nc2ccnn2C2CCCC2)C1.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-16(11-17)7-9-20(12-16)10-15(22)19-14-6-8-18-21(14)13-4-2-3-5-13;;/h6,8,13H,2-5,7,9-12,17H2,1H3,(H,19,22);2*1H
InChIKeyQGXOFAGWXBXMHE-UHFFFAOYSA-N
XLogP2.45
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride (CID 120771614) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride is CC1(CN)CCN(CC(=O)Nc2ccnn2C2CCCC2)C1.Cl.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
The InChIKey is QGXOFAGWXBXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.2ClH/c1-16(11-17)7-9-20(12-16)10-15(22)19-14-6-8-18-21(14)13-4-2-3-5-13;;/h6,8,13H,2-5,7,9-12,17H2,1H3,(H,19,22);2*1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride has a molecular weight of 378.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120771614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).