3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one

C7H10N4O — CID 130118811

IUPAC3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one
SMILESNC1CCN(c2ccn[nH]2)C1=O
InChIInChI=1S/C7H10N4O/c8-5-2-4-11(7(5)12)6-1-3-9-10-6/h1,3,5H,2,4,8H2,(H,9,10)
InChIKeyWOYRAVCVGBGSFO-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.53
Rot. Bonds1

About 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one

3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one (PubChem CID 130118811) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one
PubChem CID130118811
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one
SMILESNC1CCN(c2ccn[nH]2)C1=O
InChIInChI=1S/C7H10N4O/c8-5-2-4-11(7(5)12)6-1-3-9-10-6/h1,3,5H,2,4,8H2,(H,9,10)
InChIKeyWOYRAVCVGBGSFO-UHFFFAOYSA-N
XLogP-0.53
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one (CID 130118811) is 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one is NC1CCN(c2ccn[nH]2)C1=O.
What is the InChIKey of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one?
The InChIKey is WOYRAVCVGBGSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-5-2-4-11(7(5)12)6-1-3-9-10-6/h1,3,5H,2,4,8H2,(H,9,10).
What are the key properties of 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one?
3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one has a molecular weight of 166.18 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 130118811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).