3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole

C15H26N2O — CID 142466788

IUPAC3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole
SMILESCCc1nn(CC2CCOCC2)c(C)c1C(C)C
InChIInChI=1S/C15H26N2O/c1-5-14-15(11(2)3)12(4)17(16-14)10-13-6-8-18-9-7-13/h11,13H,5-10H2,1-4H3
InChIKeyCYGLRYXMWCETMN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.30
Rot. Bonds4

About 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole

3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole (PubChem CID 142466788) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole
PubChem CID142466788
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole
SMILESCCc1nn(CC2CCOCC2)c(C)c1C(C)C
InChIInChI=1S/C15H26N2O/c1-5-14-15(11(2)3)12(4)17(16-14)10-13-6-8-18-9-7-13/h11,13H,5-10H2,1-4H3
InChIKeyCYGLRYXMWCETMN-UHFFFAOYSA-N
XLogP3.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
The IUPAC name of 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole (CID 142466788) is 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole is CCc1nn(CC2CCOCC2)c(C)c1C(C)C.
What is the InChIKey of 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
The InChIKey is CYGLRYXMWCETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-14-15(11(2)3)12(4)17(16-14)10-13-6-8-18-9-7-13/h11,13H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole?
3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole has a molecular weight of 250.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1-(oxan-4-ylmethyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 142466788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).