1-methyl-4-(oxan-4-yl)pyrazole

C9H14N2O — CID 138971350

IUPAC1-methyl-4-(oxan-4-yl)pyrazole
SMILESCn1cc(C2CCOCC2)cn1
InChIInChI=1S/C9H14N2O/c1-11-7-9(6-10-11)8-2-4-12-5-3-8/h6-8H,2-5H2,1H3
InChIKeyMUAXDHRQSWAGPY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.31
Rot. Bonds1

About 1-methyl-4-(oxan-4-yl)pyrazole

1-methyl-4-(oxan-4-yl)pyrazole (PubChem CID 138971350) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-methyl-4-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(oxan-4-yl)pyrazole
PubChem CID138971350
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-methyl-4-(oxan-4-yl)pyrazole
SMILESCn1cc(C2CCOCC2)cn1
InChIInChI=1S/C9H14N2O/c1-11-7-9(6-10-11)8-2-4-12-5-3-8/h6-8H,2-5H2,1H3
InChIKeyMUAXDHRQSWAGPY-UHFFFAOYSA-N
XLogP1.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxan-4-yl)pyrazole?
The IUPAC name of 1-methyl-4-(oxan-4-yl)pyrazole (CID 138971350) is 1-methyl-4-(oxan-4-yl)pyrazole.
What is the SMILES notation for 1-methyl-4-(oxan-4-yl)pyrazole?
The canonical SMILES for 1-methyl-4-(oxan-4-yl)pyrazole is Cn1cc(C2CCOCC2)cn1.
What is the InChIKey of 1-methyl-4-(oxan-4-yl)pyrazole?
The InChIKey is MUAXDHRQSWAGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-7-9(6-10-11)8-2-4-12-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(oxan-4-yl)pyrazole?
1-methyl-4-(oxan-4-yl)pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxan-4-yl)pyrazole is sourced from PubChem (CID 138971350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).