N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide

C15H19N3O3 — CID 121019365

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)C1CCOCC1
InChIInChI=1S/C15H19N3O3/c19-15(12-4-9-20-10-5-12)16-11-13(14-3-1-8-21-14)18-7-2-6-17-18/h1-3,6-8,12-13H,4-5,9-11H2,(H,16,19)
InChIKeyCLXQFXXPLDBNSL-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide (PubChem CID 121019365) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
PubChem CID121019365
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)C1CCOCC1
InChIInChI=1S/C15H19N3O3/c19-15(12-4-9-20-10-5-12)16-11-13(14-3-1-8-21-14)18-7-2-6-17-18/h1-3,6-8,12-13H,4-5,9-11H2,(H,16,19)
InChIKeyCLXQFXXPLDBNSL-UHFFFAOYSA-N
XLogP1.61
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
2-cyclohexyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265953
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 119102102
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide (CID 121019365) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide is O=C(NCC(c1ccco1)n1cccn1)C1CCOCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide?
The InChIKey is CLXQFXXPLDBNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-15(12-4-9-20-10-5-12)16-11-13(14-3-1-8-21-14)18-7-2-6-17-18/h1-3,6-8,12-13H,4-5,9-11H2,(H,16,19).
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide is sourced from PubChem (CID 121019365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).