(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide

C15H25N3O3 — CID 129005878

IUPAC(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
SMILESCCOCCN(C)C(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1
InChIInChI=1S/C15H25N3O3/c1-4-18-11-12(10-16-18)14-13(6-8-21-14)15(19)17(3)7-9-20-5-2/h10-11,13-14H,4-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyKSYQVAUIZSPWEX-UONOGXRCSA-N
MW295.38 g/mol
LogP1.48
Rot. Bonds7

About (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide

(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide (PubChem CID 129005878) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
PubChem CID129005878
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
SMILESCCOCCN(C)C(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1
InChIInChI=1S/C15H25N3O3/c1-4-18-11-12(10-16-18)14-13(6-8-21-14)15(19)17(3)7-9-20-5-2/h10-11,13-14H,4-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyKSYQVAUIZSPWEX-UONOGXRCSA-N
XLogP1.48
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
CID 138002359
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997299
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanone
CID 155955008
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
CID 128995570
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 128965826
(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 128968659
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)oxolane-3-carboxamide
CID 128996390

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide (CID 129005878) is (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide is CCOCCN(C)C(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1.
What is the InChIKey of (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
The InChIKey is KSYQVAUIZSPWEX-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-18-11-12(10-16-18)14-13(6-8-21-14)15(19)17(3)7-9-20-5-2/h10-11,13-14H,4-9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 129005878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).