(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

C17H27N3O3 — CID 128973168

IUPAC(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N(C)CC(O)C1CC1
InChIInChI=1S/C17H27N3O3/c1-10-15(11(2)20(4)18-10)16-13(7-8-23-16)17(22)19(3)9-14(21)12-5-6-12/h12-14,16,21H,5-9H2,1-4H3/t13-,14?,16-/m0/s1
InChIKeyXSXQLDBIKLHRCM-SFIRGFGWSA-N
MW321.42 g/mol
LogP1.34
Rot. Bonds5

About (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128973168) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128973168
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N(C)CC(O)C1CC1
InChIInChI=1S/C17H27N3O3/c1-10-15(11(2)20(4)18-10)16-13(7-8-23-16)17(22)19(3)9-14(21)12-5-6-12/h12-14,16,21H,5-9H2,1-4H3/t13-,14?,16-/m0/s1
InChIKeyXSXQLDBIKLHRCM-SFIRGFGWSA-N
XLogP1.34
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129325500
(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973107
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129326780
(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128995869
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111858654
(2S,3S)-N-(2,6-dimethyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128972023
(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129327246
2-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 128973060
1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
CID 167896430
(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 129006792

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 128973168) is (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N(C)CC(O)C1CC1.
What is the InChIKey of (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is XSXQLDBIKLHRCM-SFIRGFGWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-10-15(11(2)20(4)18-10)16-13(7-8-23-16)17(22)19(3)9-14(21)12-5-6-12/h12-14,16,21H,5-9H2,1-4H3/t13-,14?,16-/m0/s1.
What are the key properties of (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128973168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).