3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione

C15H16N4O2 — CID 102804739

IUPAC3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESCc1nn(C)cc1NC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16N4O2/c1-10-13(9-18(2)17-10)16-12-8-14(20)19(15(12)21)11-6-4-3-5-7-11/h3-7,9,12,16H,8H2,1-2H3
InChIKeyBVAXLDQDNVTBBX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.47
Rot. Bonds3

About 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione

3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 102804739) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
PubChem CID102804739
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESCc1nn(C)cc1NC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16N4O2/c1-10-13(9-18(2)17-10)16-12-8-14(20)19(15(12)21)11-6-4-3-5-7-11/h3-7,9,12,16H,8H2,1-2H3
InChIKeyBVAXLDQDNVTBBX-UHFFFAOYSA-N
XLogP1.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 98187808
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
(3S)-3-[(4-methylpiperazin-1-yl)amino]-1-phenylpyrrolidine-2,5-dione
CID 820492
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 51859864
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione (CID 102804739) is 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione is Cc1nn(C)cc1NC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is BVAXLDQDNVTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-13(9-18(2)17-10)16-12-8-14(20)19(15(12)21)11-6-4-3-5-7-11/h3-7,9,12,16H,8H2,1-2H3.
What are the key properties of 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione?
3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 102804739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).