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

C9H14N4O — CID 104665443

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1[nH]ncc1CNC1CNC(=O)C1
InChIInChI=1S/C9H14N4O/c1-6-7(4-12-13-6)3-10-8-2-9(14)11-5-8/h4,8,10H,2-3,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyGSGKSPLYVJGMAH-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds3

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

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 104665443) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID104665443
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1[nH]ncc1CNC1CNC(=O)C1
InChIInChI=1S/C9H14N4O/c1-6-7(4-12-13-6)3-10-8-2-9(14)11-5-8/h4,8,10H,2-3,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyGSGKSPLYVJGMAH-UHFFFAOYSA-N
XLogP-0.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 104665443) is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is Cc1[nH]ncc1CNC1CNC(=O)C1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is GSGKSPLYVJGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-7(4-12-13-6)3-10-8-2-9(14)11-5-8/h4,8,10H,2-3,5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 104665443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).