2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C17H27N3O — CID 79057412

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2(N3CCCC3)CCCC2)n1
InChIInChI=1S/C17H27N3O/c1-14(2)20-12-7-15(18-20)13-16(21)17(8-3-4-9-17)19-10-5-6-11-19/h7,12,14H,3-6,8-11,13H2,1-2H3
InChIKeyOFTLEXPCPPKKMR-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.98
Rot. Bonds5

About 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 79057412) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID79057412
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2(N3CCCC3)CCCC2)n1
InChIInChI=1S/C17H27N3O/c1-14(2)20-12-7-15(18-20)13-16(21)17(8-3-4-9-17)19-10-5-6-11-19/h7,12,14H,3-6,8-11,13H2,1-2H3
InChIKeyOFTLEXPCPPKKMR-UHFFFAOYSA-N
XLogP2.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 79057412) is 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is CC(C)n1ccc(CC(=O)C2(N3CCCC3)CCCC2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is OFTLEXPCPPKKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)20-12-7-15(18-20)13-16(21)17(8-3-4-9-17)19-10-5-6-11-19/h7,12,14H,3-6,8-11,13H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 79057412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).