3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one

C14H17N3O — CID 67015095

IUPAC3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one
SMILESCc1c(-c2ccccc2)c(=O)[nH]n1C1CCNC1
InChIInChI=1S/C14H17N3O/c1-10-13(11-5-3-2-4-6-11)14(18)16-17(10)12-7-8-15-9-12/h2-6,12,15H,7-9H2,1H3,(H,16,18)
InChIKeyGGMVTUUQFHZDOR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.69
Rot. Bonds2

About 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one

3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one (PubChem CID 67015095) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one
PubChem CID67015095
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one
SMILESCc1c(-c2ccccc2)c(=O)[nH]n1C1CCNC1
InChIInChI=1S/C14H17N3O/c1-10-13(11-5-3-2-4-6-11)14(18)16-17(10)12-7-8-15-9-12/h2-6,12,15H,7-9H2,1H3,(H,16,18)
InChIKeyGGMVTUUQFHZDOR-UHFFFAOYSA-N
XLogP1.69
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one?
The IUPAC name of 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one (CID 67015095) is 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one.
What is the SMILES notation for 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one?
The canonical SMILES for 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one is Cc1c(-c2ccccc2)c(=O)[nH]n1C1CCNC1.
What is the InChIKey of 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one?
The InChIKey is GGMVTUUQFHZDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13(11-5-3-2-4-6-11)14(18)16-17(10)12-7-8-15-9-12/h2-6,12,15H,7-9H2,1H3,(H,16,18).
What are the key properties of 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one?
3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one has a molecular weight of 243.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one is sourced from PubChem (CID 67015095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).