3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one

C9H14N4O — CID 164647006

IUPAC3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one
SMILESCC(NC1CCNC1=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O/c1-6(7-3-5-11-13-7)12-8-2-4-10-9(8)14/h3,5-6,8,12H,2,4H2,1H3,(H,10,14)(H,11,13)
InChIKeyWWYIWWIQRUSQBH-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.05
Rot. Bonds3

About 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one

3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one (PubChem CID 164647006) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one
PubChem CID164647006
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one
SMILESCC(NC1CCNC1=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O/c1-6(7-3-5-11-13-7)12-8-2-4-10-9(8)14/h3,5-6,8,12H,2,4H2,1H3,(H,10,14)(H,11,13)
InChIKeyWWYIWWIQRUSQBH-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one?
The IUPAC name of 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one (CID 164647006) is 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one?
The canonical SMILES for 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one is CC(NC1CCNC1=O)c1ccn[nH]1.
What is the InChIKey of 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one?
The InChIKey is WWYIWWIQRUSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(7-3-5-11-13-7)12-8-2-4-10-9(8)14/h3,5-6,8,12H,2,4H2,1H3,(H,10,14)(H,11,13).
What are the key properties of 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one?
3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-pyrazol-5-yl)ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 164647006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).