1-(4-methyloxolan-3-yl)pyrazole

C8H12N2O — CID 177148006

IUPAC1-(4-methyloxolan-3-yl)pyrazole
SMILESCC1COCC1n1cccn1
InChIInChI=1S/C8H12N2O/c1-7-5-11-6-8(7)10-4-2-3-9-10/h2-4,7-8H,5-6H2,1H3
InChIKeyBEBFRVHXQCDYLA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.09
Rot. Bonds1

About 1-(4-methyloxolan-3-yl)pyrazole

1-(4-methyloxolan-3-yl)pyrazole (PubChem CID 177148006) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(4-methyloxolan-3-yl)pyrazole.

Molecular Properties

Compound Name1-(4-methyloxolan-3-yl)pyrazole
PubChem CID177148006
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(4-methyloxolan-3-yl)pyrazole
SMILESCC1COCC1n1cccn1
InChIInChI=1S/C8H12N2O/c1-7-5-11-6-8(7)10-4-2-3-9-10/h2-4,7-8H,5-6H2,1H3
InChIKeyBEBFRVHXQCDYLA-UHFFFAOYSA-N
XLogP1.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-pyrazol-1-ylcyclopentan-1-amine
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2,2-dimethyl-5-pyrazol-1-ylcyclopentan-1-amine
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trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride
CID 126854443
(3aR,5R,6R,7aS)-2-(1,4-dioxepan-6-ylmethyl)-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172665369
1-cyclopentylpyrazole
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1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
CID 91636373
1-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazole
CID 98041419
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloxolan-3-yl)pyrazole?
The IUPAC name of 1-(4-methyloxolan-3-yl)pyrazole (CID 177148006) is 1-(4-methyloxolan-3-yl)pyrazole.
What is the SMILES notation for 1-(4-methyloxolan-3-yl)pyrazole?
The canonical SMILES for 1-(4-methyloxolan-3-yl)pyrazole is CC1COCC1n1cccn1.
What is the InChIKey of 1-(4-methyloxolan-3-yl)pyrazole?
The InChIKey is BEBFRVHXQCDYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7-5-11-6-8(7)10-4-2-3-9-10/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 1-(4-methyloxolan-3-yl)pyrazole?
1-(4-methyloxolan-3-yl)pyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxolan-3-yl)pyrazole is sourced from PubChem (CID 177148006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).