1,3-dimethyl-5-(oxan-4-yl)pyrazole

C10H16N2O — CID 116856825

IUPAC1,3-dimethyl-5-(oxan-4-yl)pyrazole
SMILESCc1cc(C2CCOCC2)n(C)n1
InChIInChI=1S/C10H16N2O/c1-8-7-10(12(2)11-8)9-3-5-13-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyFOEXJKMDNSMEME-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds1

About 1,3-dimethyl-5-(oxan-4-yl)pyrazole

1,3-dimethyl-5-(oxan-4-yl)pyrazole (PubChem CID 116856825) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(oxan-4-yl)pyrazole
PubChem CID116856825
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,3-dimethyl-5-(oxan-4-yl)pyrazole
SMILESCc1cc(C2CCOCC2)n(C)n1
InChIInChI=1S/C10H16N2O/c1-8-7-10(12(2)11-8)9-3-5-13-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyFOEXJKMDNSMEME-UHFFFAOYSA-N
XLogP1.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(oxan-4-yl)pyrazole?
The IUPAC name of 1,3-dimethyl-5-(oxan-4-yl)pyrazole (CID 116856825) is 1,3-dimethyl-5-(oxan-4-yl)pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-(oxan-4-yl)pyrazole?
The canonical SMILES for 1,3-dimethyl-5-(oxan-4-yl)pyrazole is Cc1cc(C2CCOCC2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-(oxan-4-yl)pyrazole?
The InChIKey is FOEXJKMDNSMEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-7-10(12(2)11-8)9-3-5-13-6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(oxan-4-yl)pyrazole?
1,3-dimethyl-5-(oxan-4-yl)pyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(oxan-4-yl)pyrazole is sourced from PubChem (CID 116856825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).