(2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide

C17H20FN3O3 — CID 128993413

IUPAC(2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O3/c1-23-9-7-21-11-12(10-19-21)16-15(6-8-24-16)17(22)20-14-4-2-13(18)3-5-14/h2-5,10-11,15-16H,6-9H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyASIPYGDCTSLCEZ-JKSUJKDBSA-N
MW333.36 g/mol
LogP2.38
Rot. Bonds6

About (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide

(2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide (PubChem CID 128993413) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
PubChem CID128993413
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O3/c1-23-9-7-21-11-12(10-19-21)16-15(6-8-24-16)17(22)20-14-4-2-13(18)3-5-14/h2-5,10-11,15-16H,6-9H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyASIPYGDCTSLCEZ-JKSUJKDBSA-N
XLogP2.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide (CID 128993413) is (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
The InChIKey is ASIPYGDCTSLCEZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-23-9-7-21-11-12(10-19-21)16-15(6-8-24-16)17(22)20-14-4-2-13(18)3-5-14/h2-5,10-11,15-16H,6-9H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide?
(2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128993413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).