1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione

C9H12N4O2 — CID 43636804

IUPAC1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cn[nH]c2)C1=O
InChIInChI=1S/C9H12N4O2/c1-2-13-8(14)3-7(9(13)15)12-6-4-10-11-5-6/h4-5,7,12H,2-3H2,1H3,(H,10,11)
InChIKeyNSSSEALTZXBTHE-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.03
Rot. Bonds3

About 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione

1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione (PubChem CID 43636804) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione
PubChem CID43636804
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cn[nH]c2)C1=O
InChIInChI=1S/C9H12N4O2/c1-2-13-8(14)3-7(9(13)15)12-6-4-10-11-5-6/h4-5,7,12H,2-3H2,1H3,(H,10,11)
InChIKeyNSSSEALTZXBTHE-UHFFFAOYSA-N
XLogP-0.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione (CID 43636804) is 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2cn[nH]c2)C1=O.
What is the InChIKey of 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione?
The InChIKey is NSSSEALTZXBTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-13-8(14)3-7(9(13)15)12-6-4-10-11-5-6/h4-5,7,12H,2-3H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione?
1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione has a molecular weight of 208.22 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).