2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide

C14H25N5O — CID 91840624

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCCc2ccnn2C)C1
InChIInChI=1S/C14H25N5O/c1-17(2)13-6-9-19(10-13)11-14(20)15-7-4-12-5-8-16-18(12)3/h5,8,13H,4,6-7,9-11H2,1-3H3,(H,15,20)
InChIKeyFROXYYLHFYGZPH-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.29
Rot. Bonds6

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 91840624) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID91840624
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCCc2ccnn2C)C1
InChIInChI=1S/C14H25N5O/c1-17(2)13-6-9-19(10-13)11-14(20)15-7-4-12-5-8-16-18(12)3/h5,8,13H,4,6-7,9-11H2,1-3H3,(H,15,20)
InChIKeyFROXYYLHFYGZPH-UHFFFAOYSA-N
XLogP-0.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide (CID 91840624) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide is CN(C)C1CCN(CC(=O)NCCc2ccnn2C)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is FROXYYLHFYGZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-17(2)13-6-9-19(10-13)11-14(20)15-7-4-12-5-8-16-18(12)3/h5,8,13H,4,6-7,9-11H2,1-3H3,(H,15,20).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 91840624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).