1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one

C15H18N4O — CID 106253521

IUPAC1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCN1CCC(NCc2cn[nH]c2-c2ccccc2)C1=O
InChIInChI=1S/C15H18N4O/c1-19-8-7-13(15(19)20)16-9-12-10-17-18-14(12)11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H,17,18)
InChIKeyPSTSPYKCBDETAN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.40
Rot. Bonds4

About 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one

1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 106253521) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID106253521
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCN1CCC(NCc2cn[nH]c2-c2ccccc2)C1=O
InChIInChI=1S/C15H18N4O/c1-19-8-7-13(15(19)20)16-9-12-10-17-18-14(12)11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H,17,18)
InChIKeyPSTSPYKCBDETAN-UHFFFAOYSA-N
XLogP1.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253383
1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64655726
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 103739369
3-[(2-aminophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252839
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184519
2-(4-methylpiperidin-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 119126724
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 106252551
[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359839
(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95610632

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 106253521) is 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is CN1CCC(NCc2cn[nH]c2-c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is PSTSPYKCBDETAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-8-7-13(15(19)20)16-9-12-10-17-18-14(12)11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H,17,18).
What are the key properties of 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106253521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).