N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide

C13H21N3O2 — CID 104619555

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCc1cc(NC(=O)C2C(C)OC(C)C2C)n[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-10-6-11(16-15-10)14-13(17)12-7(2)8(3)18-9(12)4/h6-9,12H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyJTKRQTHCXIGSIM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 104619555) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID104619555
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCc1cc(NC(=O)C2C(C)OC(C)C2C)n[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-10-6-11(16-15-10)14-13(17)12-7(2)8(3)18-9(12)4/h6-9,12H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyJTKRQTHCXIGSIM-UHFFFAOYSA-N
XLogP1.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 104619555) is N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide is CCc1cc(NC(=O)C2C(C)OC(C)C2C)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is JTKRQTHCXIGSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-10-6-11(16-15-10)14-13(17)12-7(2)8(3)18-9(12)4/h6-9,12H,5H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 104619555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).