3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole

C14H22N2O — CID 139336457

IUPAC3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole
SMILESCC(C)c1cc(C2CC2)nn1C1CCCCO1
InChIInChI=1S/C14H22N2O/c1-10(2)13-9-12(11-6-7-11)15-16(13)14-5-3-4-8-17-14/h9-11,14H,3-8H2,1-2H3
InChIKeyOKNZQNKWSZEPIJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.58
Rot. Bonds3

About 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole

3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole (PubChem CID 139336457) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole
PubChem CID139336457
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole
SMILESCC(C)c1cc(C2CC2)nn1C1CCCCO1
InChIInChI=1S/C14H22N2O/c1-10(2)13-9-12(11-6-7-11)15-16(13)14-5-3-4-8-17-14/h9-11,14H,3-8H2,1-2H3
InChIKeyOKNZQNKWSZEPIJ-UHFFFAOYSA-N
XLogP3.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole?
The IUPAC name of 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole (CID 139336457) is 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole.
What is the SMILES notation for 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole?
The canonical SMILES for 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole is CC(C)c1cc(C2CC2)nn1C1CCCCO1.
What is the InChIKey of 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole?
The InChIKey is OKNZQNKWSZEPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13-9-12(11-6-7-11)15-16(13)14-5-3-4-8-17-14/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole?
3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole has a molecular weight of 234.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(oxan-2-yl)-5-propan-2-ylpyrazole is sourced from PubChem (CID 139336457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).