2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one

C9H13N3O2 — CID 118690584

IUPAC2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1CN1CCCC1=O
InChIInChI=1S/C9H13N3O2/c1-11-7(5-8(13)10-11)6-12-4-2-3-9(12)14/h5H,2-4,6H2,1H3,(H,10,13)
InChIKeyKFZYFUUROQSUJN-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.16
Rot. Bonds2

About 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one

2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one (PubChem CID 118690584) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one
PubChem CID118690584
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1CN1CCCC1=O
InChIInChI=1S/C9H13N3O2/c1-11-7(5-8(13)10-11)6-12-4-2-3-9(12)14/h5H,2-4,6H2,1H3,(H,10,13)
InChIKeyKFZYFUUROQSUJN-UHFFFAOYSA-N
XLogP-0.16
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one (CID 118690584) is 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1CN1CCCC1=O.
What is the InChIKey of 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one?
The InChIKey is KFZYFUUROQSUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-7(5-8(13)10-11)6-12-4-2-3-9(12)14/h5H,2-4,6H2,1H3,(H,10,13).
What are the key properties of 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one?
2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one has a molecular weight of 195.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one is sourced from PubChem (CID 118690584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).