4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one

C14H16N4O — CID 168700270

IUPAC4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccccc2-n2cccn2)C1
InChIInChI=1S/C14H16N4O/c15-12-8-14(19)17(10-12)9-11-4-1-2-5-13(11)18-7-3-6-16-18/h1-7,12H,8-10,15H2
InChIKeyQNVVXYNFTBKGPE-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.93
Rot. Bonds3

About 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one

4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one (PubChem CID 168700270) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
PubChem CID168700270
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccccc2-n2cccn2)C1
InChIInChI=1S/C14H16N4O/c15-12-8-14(19)17(10-12)9-11-4-1-2-5-13(11)18-7-3-6-16-18/h1-7,12H,8-10,15H2
InChIKeyQNVVXYNFTBKGPE-UHFFFAOYSA-N
XLogP0.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one (CID 168700270) is 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one is NC1CC(=O)N(Cc2ccccc2-n2cccn2)C1.
What is the InChIKey of 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is QNVVXYNFTBKGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-8-14(19)17(10-12)9-11-4-1-2-5-13(11)18-7-3-6-16-18/h1-7,12H,8-10,15H2.
What are the key properties of 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168700270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).