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

C8H10N4O2 — CID 61000286

IUPAC3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cn[nH]c2)C(=O)N1
InChIInChI=1S/C8H10N4O2/c13-7-1-6(8(14)12-7)9-2-5-3-10-11-4-5/h3-4,6,9H,1-2H2,(H,10,11)(H,12,13,14)
InChIKeyXNOAOBPZDAWPDU-UHFFFAOYSA-N
MW194.19 g/mol
LogP-1.09
Rot. Bonds3

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

3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 61000286) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID61000286
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cn[nH]c2)C(=O)N1
InChIInChI=1S/C8H10N4O2/c13-7-1-6(8(14)12-7)9-2-5-3-10-11-4-5/h3-4,6,9H,1-2H2,(H,10,11)(H,12,13,14)
InChIKeyXNOAOBPZDAWPDU-UHFFFAOYSA-N
XLogP-1.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione
CID 61240020
3-(1H-pyrazol-5-ylmethylamino)pyrrolidine-2,5-dione
CID 61284500
3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284446
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione
CID 106370763
3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62323725
3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione
CID 114936796
3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione
CID 63795507
3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166040
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 112668716
3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione
CID 81426474
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione (CID 61000286) is 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2cn[nH]c2)C(=O)N1.
What is the InChIKey of 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is XNOAOBPZDAWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-7-1-6(8(14)12-7)9-2-5-3-10-11-4-5/h3-4,6,9H,1-2H2,(H,10,11)(H,12,13,14).
What are the key properties of 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione?
3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 194.19 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 61000286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).