3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione

C16H17N3O2 — CID 60977307

IUPAC3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
SMILESCc1[nH]ncc1CN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C16H17N3O2/c1-11-12(9-17-18-11)10-19-14(20)8-16(2,15(19)21)13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,17,18)
InChIKeyOXGPYPZPVHIWTP-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.93
Rot. Bonds3

About 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione

3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 60977307) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID60977307
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
SMILESCc1[nH]ncc1CN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C16H17N3O2/c1-11-12(9-17-18-11)10-19-14(20)8-16(2,15(19)21)13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,17,18)
InChIKeyOXGPYPZPVHIWTP-UHFFFAOYSA-N
XLogP1.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 65298014
4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
CID 60977012
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 60977456
1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
CID 70675866
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79531067
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 70675869
3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 62663417
1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122138338
2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60976690
1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
CID 127677869

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione (CID 60977307) is 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione is Cc1[nH]ncc1CN1C(=O)CC(C)(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is OXGPYPZPVHIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-12(9-17-18-11)10-19-14(20)8-16(2,15(19)21)13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 60977307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).