(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one

C11H17N3O — CID 176873062

IUPAC(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@H]1CC(=O)N(c2cnn(C)c2)C1
InChIInChI=1S/C11H17N3O/c1-8(2)9-4-11(15)14(6-9)10-5-12-13(3)7-10/h5,7-9H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyOGPOIZLKJRKMEJ-VIFPVBQESA-N
MW207.28 g/mol
LogP1.43
Rot. Bonds2

About (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one

(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 176873062) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID176873062
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@H]1CC(=O)N(c2cnn(C)c2)C1
InChIInChI=1S/C11H17N3O/c1-8(2)9-4-11(15)14(6-9)10-5-12-13(3)7-10/h5,7-9H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyOGPOIZLKJRKMEJ-VIFPVBQESA-N
XLogP1.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one (CID 176873062) is (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one is CC(C)[C@H]1CC(=O)N(c2cnn(C)c2)C1.
What is the InChIKey of (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is OGPOIZLKJRKMEJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)9-4-11(15)14(6-9)10-5-12-13(3)7-10/h5,7-9H,4,6H2,1-3H3/t9-/m0/s1.
What are the key properties of (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 176873062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).