1-[2-(oxan-4-yl)ethyl]pyrazole

C10H16N2O — CID 131203572

IUPAC1-[2-(oxan-4-yl)ethyl]pyrazole
SMILESc1cnn(CCC2CCOCC2)c1
InChIInChI=1S/C10H16N2O/c1-5-11-12(6-1)7-2-10-3-8-13-9-4-10/h1,5-6,10H,2-4,7-9H2
InChIKeyJQXGHIYRHJXYSQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(oxan-4-yl)ethyl]pyrazole

1-[2-(oxan-4-yl)ethyl]pyrazole (PubChem CID 131203572) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)ethyl]pyrazole
PubChem CID131203572
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[2-(oxan-4-yl)ethyl]pyrazole
SMILESc1cnn(CCC2CCOCC2)c1
InChIInChI=1S/C10H16N2O/c1-5-11-12(6-1)7-2-10-3-8-13-9-4-10/h1,5-6,10H,2-4,7-9H2
InChIKeyJQXGHIYRHJXYSQ-UHFFFAOYSA-N
XLogP1.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole
CID 66474739
1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol
CID 131218916
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
CID 151886257
4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine
CID 70306839
ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole
CID 170609133
3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol
CID 70733539
1-(1,3-dioxan-4-ylmethyl)pyrazole
CID 130668729
2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 114515462
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
CID 126900374

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)ethyl]pyrazole?
The IUPAC name of 1-[2-(oxan-4-yl)ethyl]pyrazole (CID 131203572) is 1-[2-(oxan-4-yl)ethyl]pyrazole.
What is the SMILES notation for 1-[2-(oxan-4-yl)ethyl]pyrazole?
The canonical SMILES for 1-[2-(oxan-4-yl)ethyl]pyrazole is c1cnn(CCC2CCOCC2)c1.
What is the InChIKey of 1-[2-(oxan-4-yl)ethyl]pyrazole?
The InChIKey is JQXGHIYRHJXYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-11-12(6-1)7-2-10-3-8-13-9-4-10/h1,5-6,10H,2-4,7-9H2.
What are the key properties of 1-[2-(oxan-4-yl)ethyl]pyrazole?
1-[2-(oxan-4-yl)ethyl]pyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)ethyl]pyrazole is sourced from PubChem (CID 131203572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).