1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one

C9H14N4O — CID 62138823

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one
SMILESNc1cnn(CCN2CCCC2=O)c1
InChIInChI=1S/C9H14N4O/c10-8-6-11-13(7-8)5-4-12-3-1-2-9(12)14/h6-7H,1-5,10H2
InChIKeyVHLJOSQPXSTCHH-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.09
Rot. Bonds3

About 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one

1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 62138823) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one
PubChem CID62138823
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one
SMILESNc1cnn(CCN2CCCC2=O)c1
InChIInChI=1S/C9H14N4O/c10-8-6-11-13(7-8)5-4-12-3-1-2-9(12)14/h6-7H,1-5,10H2
InChIKeyVHLJOSQPXSTCHH-UHFFFAOYSA-N
XLogP0.09
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one (CID 62138823) is 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one is Nc1cnn(CCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is VHLJOSQPXSTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-6-11-13(7-8)5-4-12-3-1-2-9(12)14/h6-7H,1-5,10H2.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 62138823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).