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

C12H20N2O — CID 139341922

IUPAC5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)nn1C1CCCCO1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-10(3)14(13-11)12-6-4-5-7-15-12/h8-9,12H,4-7H2,1-3H3
InChIKeyHDVJHAZKWUZHMJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.01
Rot. Bonds2

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

5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole (PubChem CID 139341922) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole
PubChem CID139341922
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)nn1C1CCCCO1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-10(3)14(13-11)12-6-4-5-7-15-12/h8-9,12H,4-7H2,1-3H3
InChIKeyHDVJHAZKWUZHMJ-UHFFFAOYSA-N
XLogP3.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole?
The IUPAC name of 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole (CID 139341922) is 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole?
The canonical SMILES for 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole is Cc1cc(C(C)C)nn1C1CCCCO1.
What is the InChIKey of 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole?
The InChIKey is HDVJHAZKWUZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)11-8-10(3)14(13-11)12-6-4-5-7-15-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole?
5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole has a molecular weight of 208.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-2-yl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 139341922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).