1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole

C8H10N2O2 — CID 175920419

IUPAC1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole
SMILESC1=C(Cn2cccn2)OCCO1
InChIInChI=1S/C8H10N2O2/c1-2-9-10(3-1)6-8-7-11-4-5-12-8/h1-3,7H,4-6H2
InChIKeyAHLHFLUEDQQWQB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.77
Rot. Bonds2

About 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole

1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole (PubChem CID 175920419) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole
PubChem CID175920419
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole
SMILESC1=C(Cn2cccn2)OCCO1
InChIInChI=1S/C8H10N2O2/c1-2-9-10(3-1)6-8-7-11-4-5-12-8/h1-3,7H,4-6H2
InChIKeyAHLHFLUEDQQWQB-UHFFFAOYSA-N
XLogP0.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole?
The IUPAC name of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole (CID 175920419) is 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole?
The canonical SMILES for 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole is C1=C(Cn2cccn2)OCCO1.
What is the InChIKey of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole?
The InChIKey is AHLHFLUEDQQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-9-10(3-1)6-8-7-11-4-5-12-8/h1-3,7H,4-6H2.
What are the key properties of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole?
1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole has a molecular weight of 166.18 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole is sourced from PubChem (CID 175920419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).