(3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one

C13H19N3O2 — CID 58633437

IUPAC(3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one
SMILESCc1cc(C(=O)C[C@H]2NC(=O)[C@@H]2C(C)C)nn1C
InChIInChI=1S/C13H19N3O2/c1-7(2)12-10(14-13(12)18)6-11(17)9-5-8(3)16(4)15-9/h5,7,10,12H,6H2,1-4H3,(H,14,18)/t10-,12-/m1/s1
InChIKeyAQUIKKBZKFKECA-ZYHUDNBSSA-N
MW249.31 g/mol
LogP1.07
Rot. Bonds4

About (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one

(3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one (PubChem CID 58633437) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one
PubChem CID58633437
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one
SMILESCc1cc(C(=O)C[C@H]2NC(=O)[C@@H]2C(C)C)nn1C
InChIInChI=1S/C13H19N3O2/c1-7(2)12-10(14-13(12)18)6-11(17)9-5-8(3)16(4)15-9/h5,7,10,12H,6H2,1-4H3,(H,14,18)/t10-,12-/m1/s1
InChIKeyAQUIKKBZKFKECA-ZYHUDNBSSA-N
XLogP1.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one 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 (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one (CID 58633437) is (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one is Cc1cc(C(=O)C[C@H]2NC(=O)[C@@H]2C(C)C)nn1C.
What is the InChIKey of (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
The InChIKey is AQUIKKBZKFKECA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7(2)12-10(14-13(12)18)6-11(17)9-5-8(3)16(4)15-9/h5,7,10,12H,6H2,1-4H3,(H,14,18)/t10-,12-/m1/s1.
What are the key properties of (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
(3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 58633437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).