ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole

C15H28N2O — CID 170609133

IUPACethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole
SMILESCC.CC(C)c1cnn(CCC2CCOCC2)c1
InChIInChI=1S/C13H22N2O.C2H6/c1-11(2)13-9-14-15(10-13)6-3-12-4-7-16-8-5-12;1-2/h9-12H,3-8H2,1-2H3;1-2H3
InChIKeyALWYNSIBKUKFRX-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.85
Rot. Bonds4

About ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole

ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole (PubChem CID 170609133) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole
PubChem CID170609133
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Nameethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole
SMILESCC.CC(C)c1cnn(CCC2CCOCC2)c1
InChIInChI=1S/C13H22N2O.C2H6/c1-11(2)13-9-14-15(10-13)6-3-12-4-7-16-8-5-12;1-2/h9-12H,3-8H2,1-2H3;1-2H3
InChIKeyALWYNSIBKUKFRX-UHFFFAOYSA-N
XLogP3.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol
CID 131218916
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
4-(1-chloropropyl)-1-(oxan-4-ylmethyl)pyrazole
CID 62729493
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone
CID 178050206
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 114192598
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine
CID 59186257
ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
CID 176666040

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole?
The IUPAC name of ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole (CID 170609133) is ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole.
What is the SMILES notation for ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole?
The canonical SMILES for ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole is CC.CC(C)c1cnn(CCC2CCOCC2)c1.
What is the InChIKey of ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole?
The InChIKey is ALWYNSIBKUKFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.C2H6/c1-11(2)13-9-14-15(10-13)6-3-12-4-7-16-8-5-12;1-2/h9-12H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole?
ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole has a molecular weight of 252.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole is sourced from PubChem (CID 170609133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).