3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide

C14H20N4O3 — CID 128989098

IUPAC3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)C2(C)COC2)[C@@H]1c1ccnn1C
InChIInChI=1S/C14H20N4O3/c1-14(7-21-8-14)13(20)16-9-6-11(19)17(2)12(9)10-4-5-15-18(10)3/h4-5,9,12H,6-8H2,1-3H3,(H,16,20)/t9-,12-/m1/s1
InChIKeyMSXRSFMTTQLBRX-BXKDBHETSA-N
MW292.34 g/mol
LogP-0.16
Rot. Bonds3

About 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide

3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide (PubChem CID 128989098) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
PubChem CID128989098
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)C2(C)COC2)[C@@H]1c1ccnn1C
InChIInChI=1S/C14H20N4O3/c1-14(7-21-8-14)13(20)16-9-6-11(19)17(2)12(9)10-4-5-15-18(10)3/h4-5,9,12H,6-8H2,1-3H3,(H,16,20)/t9-,12-/m1/s1
InChIKeyMSXRSFMTTQLBRX-BXKDBHETSA-N
XLogP-0.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide (CID 128989098) is 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide is CN1C(=O)C[C@@H](NC(=O)C2(C)COC2)[C@@H]1c1ccnn1C.
What is the InChIKey of 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide?
The InChIKey is MSXRSFMTTQLBRX-BXKDBHETSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(7-21-8-14)13(20)16-9-6-11(19)17(2)12(9)10-4-5-15-18(10)3/h4-5,9,12H,6-8H2,1-3H3,(H,16,20)/t9-,12-/m1/s1.
What are the key properties of 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide?
3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide is sourced from PubChem (CID 128989098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).