5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole

C9H16N2O — CID 146499000

IUPAC5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole
SMILESCC1C=CN(C2CCCCO2)N1
InChIInChI=1S/C9H16N2O/c1-8-5-6-11(10-8)9-4-2-3-7-12-9/h5-6,8-10H,2-4,7H2,1H3
InChIKeyROXZNVIEOUPYRG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.24
Rot. Bonds1

About 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole

5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole (PubChem CID 146499000) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole
PubChem CID146499000
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole
SMILESCC1C=CN(C2CCCCO2)N1
InChIInChI=1S/C9H16N2O/c1-8-5-6-11(10-8)9-4-2-3-7-12-9/h5-6,8-10H,2-4,7H2,1H3
InChIKeyROXZNVIEOUPYRG-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole?
The IUPAC name of 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole (CID 146499000) is 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole.
What is the SMILES notation for 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole?
The canonical SMILES for 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole is CC1C=CN(C2CCCCO2)N1.
What is the InChIKey of 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole?
The InChIKey is ROXZNVIEOUPYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-5-6-11(10-8)9-4-2-3-7-12-9/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole?
5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-2-yl)-1,5-dihydropyrazole is sourced from PubChem (CID 146499000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).