1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole

C14H24N2O — CID 142624748

IUPAC1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)n(C2CCCCO2)n1
InChIInChI=1S/C14H24N2O/c1-10(2)12-9-13(11(3)4)16(15-12)14-7-5-6-8-17-14/h9-11,14H,5-8H2,1-4H3
InChIKeyITNBAOMPUQCZJT-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.83
Rot. Bonds3

About 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole

1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole (PubChem CID 142624748) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole
PubChem CID142624748
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)n(C2CCCCO2)n1
InChIInChI=1S/C14H24N2O/c1-10(2)12-9-13(11(3)4)16(15-12)14-7-5-6-8-17-14/h9-11,14H,5-8H2,1-4H3
InChIKeyITNBAOMPUQCZJT-UHFFFAOYSA-N
XLogP3.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole?
The IUPAC name of 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole (CID 142624748) is 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole is CC(C)c1cc(C(C)C)n(C2CCCCO2)n1.
What is the InChIKey of 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole?
The InChIKey is ITNBAOMPUQCZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)12-9-13(11(3)4)16(15-12)14-7-5-6-8-17-14/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole?
1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole has a molecular weight of 236.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 142624748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).