2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one

C14H23N3O — CID 103130452

IUPAC2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccn(C)n1)N1CCCC1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,17-9-6-7-10-17)13(18)12-8-11-16(3)15-12/h8,11H,4-7,9-10H2,1-3H3
InChIKeySPARVZDRMWLWKR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.26
Rot. Bonds5

About 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one

2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 103130452) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID103130452
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccn(C)n1)N1CCCC1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,17-9-6-7-10-17)13(18)12-8-11-16(3)15-12/h8,11H,4-7,9-10H2,1-3H3
InChIKeySPARVZDRMWLWKR-UHFFFAOYSA-N
XLogP2.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one (CID 103130452) is 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one is CCC(CC)(C(=O)c1ccn(C)n1)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is SPARVZDRMWLWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(5-2,17-9-6-7-10-17)13(18)12-8-11-16(3)15-12/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one?
2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 249.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 103130452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).