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

C8H12N2O — CID 90029737

IUPAC5-(oxan-4-yl)-1H-pyrazole
SMILESc1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C8H12N2O/c1-4-9-10-8(1)7-2-5-11-6-3-7/h1,4,7H,2-3,5-6H2,(H,9,10)
InChIKeyJUOYWQIBQOXWAP-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.30
Rot. Bonds1

About 5-(oxan-4-yl)-1H-pyrazole

5-(oxan-4-yl)-1H-pyrazole (PubChem CID 90029737) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(oxan-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-1H-pyrazole
PubChem CID90029737
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-(oxan-4-yl)-1H-pyrazole
SMILESc1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C8H12N2O/c1-4-9-10-8(1)7-2-5-11-6-3-7/h1,4,7H,2-3,5-6H2,(H,9,10)
InChIKeyJUOYWQIBQOXWAP-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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Related Compounds

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CID 53792375
3-cyclohexyl-1H-pyrazole
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3-Cyclopentyl-1H-pyrazole
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1-(2-methoxyethyl)-4-(1H-pyrazol-5-yl)piperidine
CID 51104409
4-bromo-5-(oxan-4-yl)-1H-pyrazole
CID 83711956
Pyrazolyl isoxazoline
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Tetrahydrophenylpyrazol
CID 91103303
5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole
CID 155254385
3-(2-Methoxyethyl)-1H-pyrazole
CID 15320713
5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole
CID 91529023
5-(oxan-4-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 116861856

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-1H-pyrazole?
The IUPAC name of 5-(oxan-4-yl)-1H-pyrazole (CID 90029737) is 5-(oxan-4-yl)-1H-pyrazole.
What is the SMILES notation for 5-(oxan-4-yl)-1H-pyrazole?
The canonical SMILES for 5-(oxan-4-yl)-1H-pyrazole is c1cc(C2CCOCC2)[nH]n1.
What is the InChIKey of 5-(oxan-4-yl)-1H-pyrazole?
The InChIKey is JUOYWQIBQOXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-9-10-8(1)7-2-5-11-6-3-7/h1,4,7H,2-3,5-6H2,(H,9,10).
What are the key properties of 5-(oxan-4-yl)-1H-pyrazole?
5-(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 5-(oxan-4-yl)-1H-pyrazole is sourced from PubChem (CID 90029737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).