4-(oxan-4-yl)-1H-pyrazole

C8H12N2O — CID 121273766

IUPAC4-(oxan-4-yl)-1H-pyrazole
SMILESc1n[nH]cc1C1CCOCC1
InChIInChI=1S/C8H12N2O/c1-3-11-4-2-7(1)8-5-9-10-6-8/h5-7H,1-4H2,(H,9,10)
InChIKeyDOJOEDSBEYPBHA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.30
Rot. Bonds1

About 4-(oxan-4-yl)-1H-pyrazole

4-(oxan-4-yl)-1H-pyrazole (PubChem CID 121273766) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(oxan-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-1H-pyrazole
PubChem CID121273766
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(oxan-4-yl)-1H-pyrazole
SMILESc1n[nH]cc1C1CCOCC1
InChIInChI=1S/C8H12N2O/c1-3-11-4-2-7(1)8-5-9-10-6-8/h5-7H,1-4H2,(H,9,10)
InChIKeyDOJOEDSBEYPBHA-UHFFFAOYSA-N
XLogP1.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-1H-pyrazole?
The IUPAC name of 4-(oxan-4-yl)-1H-pyrazole (CID 121273766) is 4-(oxan-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-(oxan-4-yl)-1H-pyrazole?
The canonical SMILES for 4-(oxan-4-yl)-1H-pyrazole is c1n[nH]cc1C1CCOCC1.
What is the InChIKey of 4-(oxan-4-yl)-1H-pyrazole?
The InChIKey is DOJOEDSBEYPBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-11-4-2-7(1)8-5-9-10-6-8/h5-7H,1-4H2,(H,9,10).
What are the key properties of 4-(oxan-4-yl)-1H-pyrazole?
4-(oxan-4-yl)-1H-pyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-1H-pyrazole is sourced from PubChem (CID 121273766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).