[5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol

C15H26N2O2 — CID 142466670

IUPAC[5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol
SMILESCc1c(C(C)C)c(CO)nn1CCC1CCOCC1
InChIInChI=1S/C15H26N2O2/c1-11(2)15-12(3)17(16-14(15)10-18)7-4-13-5-8-19-9-6-13/h11,13,18H,4-10H2,1-3H3
InChIKeyJEJMWESOWIPNTH-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.62
Rot. Bonds5

About [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol

[5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol (PubChem CID 142466670) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol
PubChem CID142466670
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol
SMILESCc1c(C(C)C)c(CO)nn1CCC1CCOCC1
InChIInChI=1S/C15H26N2O2/c1-11(2)15-12(3)17(16-14(15)10-18)7-4-13-5-8-19-9-6-13/h11,13,18H,4-10H2,1-3H3
InChIKeyJEJMWESOWIPNTH-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol?
The IUPAC name of [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol (CID 142466670) is [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol?
The canonical SMILES for [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol is Cc1c(C(C)C)c(CO)nn1CCC1CCOCC1.
What is the InChIKey of [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol?
The InChIKey is JEJMWESOWIPNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)15-12(3)17(16-14(15)10-18)7-4-13-5-8-19-9-6-13/h11,13,18H,4-10H2,1-3H3.
What are the key properties of [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol?
[5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol has a molecular weight of 266.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazol-3-yl]methanol is sourced from PubChem (CID 142466670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).