3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one

C9H14N4O — CID 130878221

IUPAC3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one
SMILESNc1ccn(CCC2CCNC2=O)n1
InChIInChI=1S/C9H14N4O/c10-8-3-6-13(12-8)5-2-7-1-4-11-9(7)14/h3,6-7H,1-2,4-5H2,(H2,10,12)(H,11,14)
InChIKeyVRPBFZLVYCQXBZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.01
Rot. Bonds3

About 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one

3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 130878221) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one
PubChem CID130878221
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one
SMILESNc1ccn(CCC2CCNC2=O)n1
InChIInChI=1S/C9H14N4O/c10-8-3-6-13(12-8)5-2-7-1-4-11-9(7)14/h3,6-7H,1-2,4-5H2,(H2,10,12)(H,11,14)
InChIKeyVRPBFZLVYCQXBZ-UHFFFAOYSA-N
XLogP-0.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one (CID 130878221) is 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one is Nc1ccn(CCC2CCNC2=O)n1.
What is the InChIKey of 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is VRPBFZLVYCQXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-3-6-13(12-8)5-2-7-1-4-11-9(7)14/h3,6-7H,1-2,4-5H2,(H2,10,12)(H,11,14).
What are the key properties of 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one?
3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 130878221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).