3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C8H12N4O — CID 54594203

IUPAC3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(N)C2=O)cn1
InChIInChI=1S/C8H12N4O/c1-11-5-6(4-10-11)12-3-2-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3
InChIKeyDVVXTNFZOMLOFB-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.52
Rot. Bonds1

About 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 54594203) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID54594203
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(N)C2=O)cn1
InChIInChI=1S/C8H12N4O/c1-11-5-6(4-10-11)12-3-2-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3
InChIKeyDVVXTNFZOMLOFB-UHFFFAOYSA-N
XLogP-0.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 54594203) is 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(N2CCC(N)C2=O)cn1.
What is the InChIKey of 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is DVVXTNFZOMLOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11-5-6(4-10-11)12-3-2-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3.
What are the key properties of 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 54594203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).