2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone

C12H19N3O — CID 84584489

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)n1ccc(CC(=O)N2CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-10(2)15-8-5-11(13-15)9-12(16)14-6-3-4-7-14/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyGTKUZXQQASXDDF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone

2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 84584489) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone
PubChem CID84584489
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)n1ccc(CC(=O)N2CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-10(2)15-8-5-11(13-15)9-12(16)14-6-3-4-7-14/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyGTKUZXQQASXDDF-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone (CID 84584489) is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone is CC(C)n1ccc(CC(=O)N2CCCC2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is GTKUZXQQASXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(2)15-8-5-11(13-15)9-12(16)14-6-3-4-7-14/h5,8,10H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone?
2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 221.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 84584489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).