4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole

C11H19N3O — CID 117124968

IUPAC4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole
SMILESCC(C)(C)Oc1cnn(C2CCNC2)c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)15-10-7-13-14(8-10)9-4-5-12-6-9/h7-9,12H,4-6H2,1-3H3
InChIKeyDTQCRKFNRYMHNG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole

4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole (PubChem CID 117124968) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole
PubChem CID117124968
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole
SMILESCC(C)(C)Oc1cnn(C2CCNC2)c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)15-10-7-13-14(8-10)9-4-5-12-6-9/h7-9,12H,4-6H2,1-3H3
InChIKeyDTQCRKFNRYMHNG-UHFFFAOYSA-N
XLogP1.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole (CID 117124968) is 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole is CC(C)(C)Oc1cnn(C2CCNC2)c1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole?
The InChIKey is DTQCRKFNRYMHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)15-10-7-13-14(8-10)9-4-5-12-6-9/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole?
4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole has a molecular weight of 209.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 117124968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).