5-[(2S)-oxan-2-yl]-1H-pyrazole

C8H12N2O — CID 139560694

IUPAC5-[(2S)-oxan-2-yl]-1H-pyrazole
SMILESc1cc([C@@H]2CCCCO2)[nH]n1
InChIInChI=1S/C8H12N2O/c1-2-6-11-8(3-1)7-4-5-9-10-7/h4-5,8H,1-3,6H2,(H,9,10)/t8-/m0/s1
InChIKeySVSYHVSFQLQFIH-QMMMGPOBSA-N
MW152.20 g/mol
LogP1.65
Rot. Bonds1

About 5-[(2S)-oxan-2-yl]-1H-pyrazole

5-[(2S)-oxan-2-yl]-1H-pyrazole (PubChem CID 139560694) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-[(2S)-oxan-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(2S)-oxan-2-yl]-1H-pyrazole
PubChem CID139560694
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-[(2S)-oxan-2-yl]-1H-pyrazole
SMILESc1cc([C@@H]2CCCCO2)[nH]n1
InChIInChI=1S/C8H12N2O/c1-2-6-11-8(3-1)7-4-5-9-10-7/h4-5,8H,1-3,6H2,(H,9,10)/t8-/m0/s1
InChIKeySVSYHVSFQLQFIH-QMMMGPOBSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxan-2-yl]-1H-pyrazole?
The IUPAC name of 5-[(2S)-oxan-2-yl]-1H-pyrazole (CID 139560694) is 5-[(2S)-oxan-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(2S)-oxan-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[(2S)-oxan-2-yl]-1H-pyrazole is c1cc([C@@H]2CCCCO2)[nH]n1.
What is the InChIKey of 5-[(2S)-oxan-2-yl]-1H-pyrazole?
The InChIKey is SVSYHVSFQLQFIH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-6-11-8(3-1)7-4-5-9-10-7/h4-5,8H,1-3,6H2,(H,9,10)/t8-/m0/s1.
What are the key properties of 5-[(2S)-oxan-2-yl]-1H-pyrazole?
5-[(2S)-oxan-2-yl]-1H-pyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxan-2-yl]-1H-pyrazole is sourced from PubChem (CID 139560694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).