4-ethoxy-1-pyrrolidin-2-ylpyrazole

C9H15N3O — CID 117125149

IUPAC4-ethoxy-1-pyrrolidin-2-ylpyrazole
SMILESCCOc1cnn(C2CCCN2)c1
InChIInChI=1S/C9H15N3O/c1-2-13-8-6-11-12(7-8)9-4-3-5-10-9/h6-7,9-10H,2-5H2,1H3
InChIKeyLEGPKYDDBLESHV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.16
Rot. Bonds3

About 4-ethoxy-1-pyrrolidin-2-ylpyrazole

4-ethoxy-1-pyrrolidin-2-ylpyrazole (PubChem CID 117125149) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-ethoxy-1-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-ethoxy-1-pyrrolidin-2-ylpyrazole
PubChem CID117125149
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-ethoxy-1-pyrrolidin-2-ylpyrazole
SMILESCCOc1cnn(C2CCCN2)c1
InChIInChI=1S/C9H15N3O/c1-2-13-8-6-11-12(7-8)9-4-3-5-10-9/h6-7,9-10H,2-5H2,1H3
InChIKeyLEGPKYDDBLESHV-UHFFFAOYSA-N
XLogP1.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-ethoxy-1-pyrrolidin-2-ylpyrazole (CID 117125149) is 4-ethoxy-1-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-ethoxy-1-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-ethoxy-1-pyrrolidin-2-ylpyrazole is CCOc1cnn(C2CCCN2)c1.
What is the InChIKey of 4-ethoxy-1-pyrrolidin-2-ylpyrazole?
The InChIKey is LEGPKYDDBLESHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-8-6-11-12(7-8)9-4-3-5-10-9/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 4-ethoxy-1-pyrrolidin-2-ylpyrazole?
4-ethoxy-1-pyrrolidin-2-ylpyrazole has a molecular weight of 181.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 117125149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).