4-methyl-1-(oxan-3-yl)pyrazole

C9H14N2O — CID 90145852

IUPAC4-methyl-1-(oxan-3-yl)pyrazole
SMILESCc1cnn(C2CCCOC2)c1
InChIInChI=1S/C9H14N2O/c1-8-5-10-11(6-8)9-3-2-4-12-7-9/h5-6,9H,2-4,7H2,1H3
InChIKeyJPJLWEBDBLRXFG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.54
Rot. Bonds1

About 4-methyl-1-(oxan-3-yl)pyrazole

4-methyl-1-(oxan-3-yl)pyrazole (PubChem CID 90145852) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methyl-1-(oxan-3-yl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-(oxan-3-yl)pyrazole
PubChem CID90145852
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methyl-1-(oxan-3-yl)pyrazole
SMILESCc1cnn(C2CCCOC2)c1
InChIInChI=1S/C9H14N2O/c1-8-5-10-11(6-8)9-3-2-4-12-7-9/h5-6,9H,2-4,7H2,1H3
InChIKeyJPJLWEBDBLRXFG-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-3-yl)pyrazole?
The IUPAC name of 4-methyl-1-(oxan-3-yl)pyrazole (CID 90145852) is 4-methyl-1-(oxan-3-yl)pyrazole.
What is the SMILES notation for 4-methyl-1-(oxan-3-yl)pyrazole?
The canonical SMILES for 4-methyl-1-(oxan-3-yl)pyrazole is Cc1cnn(C2CCCOC2)c1.
What is the InChIKey of 4-methyl-1-(oxan-3-yl)pyrazole?
The InChIKey is JPJLWEBDBLRXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-5-10-11(6-8)9-3-2-4-12-7-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 4-methyl-1-(oxan-3-yl)pyrazole?
4-methyl-1-(oxan-3-yl)pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-3-yl)pyrazole is sourced from PubChem (CID 90145852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).