1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione

C9H9N3O2 — CID 61463085

IUPAC1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCn1cccn1
InChIInChI=1S/C9H9N3O2/c13-8-2-3-9(14)12(8)7-6-11-5-1-4-10-11/h1-5H,6-7H2
InChIKeyPPUKNVZLGVLVJC-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.19
Rot. Bonds3

About 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione

1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione (PubChem CID 61463085) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione
PubChem CID61463085
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCn1cccn1
InChIInChI=1S/C9H9N3O2/c13-8-2-3-9(14)12(8)7-6-11-5-1-4-10-11/h1-5H,6-7H2
InChIKeyPPUKNVZLGVLVJC-UHFFFAOYSA-N
XLogP-0.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61491550
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64874237
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61494575
3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione
CID 66068238
2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
CID 14662143
2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione
CID 14662149
3-methyl-4-(2-pyrazol-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 126953689
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 116788167
1-(2-pyrazol-1-ylethyl)piperazin-2-one
CID 62310612
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65365420
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione (CID 61463085) is 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCn1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione?
The InChIKey is PPUKNVZLGVLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-8-2-3-9(14)12(8)7-6-11-5-1-4-10-11/h1-5H,6-7H2.
What are the key properties of 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione?
1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione has a molecular weight of 191.19 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 61463085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).