(3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

C9H13N3O — CID 118061232

IUPAC(3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESC[C@@H]1CCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C9H13N3O/c1-7-3-6-12(9(7)13)8-4-5-11(2)10-8/h4-5,7H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyDBPYDXKTPJTSAE-SSDOTTSWSA-N
MW179.22 g/mol
LogP0.79
Rot. Bonds1

About (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

(3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 118061232) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID118061232
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESC[C@@H]1CCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C9H13N3O/c1-7-3-6-12(9(7)13)8-4-5-11(2)10-8/h4-5,7H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyDBPYDXKTPJTSAE-SSDOTTSWSA-N
XLogP0.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (CID 118061232) is (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is C[C@@H]1CCN(c2ccn(C)n2)C1=O.
What is the InChIKey of (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is DBPYDXKTPJTSAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-3-6-12(9(7)13)8-4-5-11(2)10-8/h4-5,7H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
(3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 118061232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).