1-(2H-pyran-4-yl)pyrazole

C8H8N2O — CID 90919859

IUPAC1-(2H-pyran-4-yl)pyrazole
SMILESC1=CC(n2cccn2)=CCO1
InChIInChI=1S/C8H8N2O/c1-4-9-10(5-1)8-2-6-11-7-3-8/h1-6H,7H2
InChIKeyYQNHVXRBBVMFNI-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.27
Rot. Bonds1

About 1-(2H-pyran-4-yl)pyrazole

1-(2H-pyran-4-yl)pyrazole (PubChem CID 90919859) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-(2H-pyran-4-yl)pyrazole.

Molecular Properties

Compound Name1-(2H-pyran-4-yl)pyrazole
PubChem CID90919859
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name1-(2H-pyran-4-yl)pyrazole
SMILESC1=CC(n2cccn2)=CCO1
InChIInChI=1S/C8H8N2O/c1-4-9-10(5-1)8-2-6-11-7-3-8/h1-6H,7H2
InChIKeyYQNHVXRBBVMFNI-UHFFFAOYSA-N
XLogP1.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-4-yl)pyrazole?
The IUPAC name of 1-(2H-pyran-4-yl)pyrazole (CID 90919859) is 1-(2H-pyran-4-yl)pyrazole.
What is the SMILES notation for 1-(2H-pyran-4-yl)pyrazole?
The canonical SMILES for 1-(2H-pyran-4-yl)pyrazole is C1=CC(n2cccn2)=CCO1.
What is the InChIKey of 1-(2H-pyran-4-yl)pyrazole?
The InChIKey is YQNHVXRBBVMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-4-9-10(5-1)8-2-6-11-7-3-8/h1-6H,7H2.
What are the key properties of 1-(2H-pyran-4-yl)pyrazole?
1-(2H-pyran-4-yl)pyrazole has a molecular weight of 148.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-4-yl)pyrazole is sourced from PubChem (CID 90919859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).