1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole

C12H20N2O — CID 59186236

IUPAC1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C12H20N2O/c1-10(2)12-7-13-14(9-12)8-11-3-5-15-6-4-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyWJMVPHSIZDUFAW-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.43
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole

1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole (PubChem CID 59186236) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole
PubChem CID59186236
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C12H20N2O/c1-10(2)12-7-13-14(9-12)8-11-3-5-15-6-4-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyWJMVPHSIZDUFAW-UHFFFAOYSA-N
XLogP2.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole (CID 59186236) is 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole is CC(C)c1cnn(CC2CCOCC2)c1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
The InChIKey is WJMVPHSIZDUFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)12-7-13-14(9-12)8-11-3-5-15-6-4-11/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole has a molecular weight of 208.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 59186236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).