(2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide

C16H23N3O2 — CID 129000246

IUPAC(2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)NC1C=CCCC1
InChIInChI=1S/C16H23N3O2/c1-2-19-14(8-10-17-19)15-13(9-11-21-15)16(20)18-12-6-4-3-5-7-12/h4,6,8,10,12-13,15H,2-3,5,7,9,11H2,1H3,(H,18,20)/t12?,13-,15-/m1/s1
InChIKeyVHBPKAINGZHNMG-JYRZLJSNSA-N
MW289.38 g/mol
LogP2.21
Rot. Bonds4

About (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide

(2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 129000246) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID129000246
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)NC1C=CCCC1
InChIInChI=1S/C16H23N3O2/c1-2-19-14(8-10-17-19)15-13(9-11-21-15)16(20)18-12-6-4-3-5-7-12/h4,6,8,10,12-13,15H,2-3,5,7,9,11H2,1H3,(H,18,20)/t12?,13-,15-/m1/s1
InChIKeyVHBPKAINGZHNMG-JYRZLJSNSA-N
XLogP2.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide (CID 129000246) is (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide is CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NC1C=CCCC1.
What is the InChIKey of (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is VHBPKAINGZHNMG-JYRZLJSNSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-19-14(8-10-17-19)15-13(9-11-21-15)16(20)18-12-6-4-3-5-7-12/h4,6,8,10,12-13,15H,2-3,5,7,9,11H2,1H3,(H,18,20)/t12?,13-,15-/m1/s1.
What are the key properties of (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
(2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129000246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).