oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C15H23N3O2 — CID 86768841

IUPACoxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-10-14(11(2)17(3)16-10)13-5-4-7-18(13)15(19)12-6-8-20-9-12/h12-13H,4-9H2,1-3H3
InChIKeyOOJGHLRNWKGIRY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.74
Rot. Bonds2

About oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 86768841) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID86768841
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameoxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-10-14(11(2)17(3)16-10)13-5-4-7-18(13)15(19)12-6-8-20-9-12/h12-13H,4-9H2,1-3H3
InChIKeyOOJGHLRNWKGIRY-UHFFFAOYSA-N
XLogP1.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 86768841) is oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1nn(C)c(C)c1C1CCCN1C(=O)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OOJGHLRNWKGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-14(11(2)17(3)16-10)13-5-4-7-18(13)15(19)12-6-8-20-9-12/h12-13H,4-9H2,1-3H3.
What are the key properties of oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86768841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).