(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

C18H27N5O2 — CID 164631091

IUPAC(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C
InChIInChI=1S/C18H27N5O2/c1-5-22(12-14-10-20-21(4)11-14)18(24)15-7-9-25-17(15)16-6-8-19-23(16)13(2)3/h6,8,10-11,13,15,17H,5,7,9,12H2,1-4H3/t15-,17-/m0/s1
InChIKeyOVVNAQOJBHQXAH-RDJZCZTQSA-N
MW345.45 g/mol
LogP2.32
Rot. Bonds6

About (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 164631091) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID164631091
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C
InChIInChI=1S/C18H27N5O2/c1-5-22(12-14-10-20-21(4)11-14)18(24)15-7-9-25-17(15)16-6-8-19-23(16)13(2)3/h6,8,10-11,13,15,17H,5,7,9,12H2,1-4H3/t15-,17-/m0/s1
InChIKeyOVVNAQOJBHQXAH-RDJZCZTQSA-N
XLogP2.32
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-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

Related Compounds

(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-(2-sulfanylethyl)oxolane-3-carboxamide
CID 177680332
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 121558812
(3-methylsulfonylpiperidin-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone
CID 128062224
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 132289587
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]butanamide
CID 132303366
(2R,3R)-N-(2-ethyl-2-methoxybutyl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 137977335
[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
CID 164636205
(4-fluoro-2,3-dihydroindol-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone
CID 122133110
1-(2,2-difluoroethyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 128354527
(2R,3R)-N-methyl-2-(2-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
CID 128968478
(2S,3S)-N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxamide
CID 128971827
(2S,3S)-N-[(3,4-difluorophenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
CID 128974293

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (CID 164631091) is (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is CCN(Cc1cnn(C)c1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C.
What is the InChIKey of (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is OVVNAQOJBHQXAH-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-22(12-14-10-20-21(4)11-14)18(24)15-7-9-25-17(15)16-6-8-19-23(16)13(2)3/h6,8,10-11,13,15,17H,5,7,9,12H2,1-4H3/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 164631091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).