1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione

C27H26F2N4O3 — CID 42817713

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCC(C)c1[nH]n(-c2ccc(F)cc2)c(=O)c1C1=C(N2CCCC2)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H26F2N4O3/c1-16(2)23-21(26(35)33(30-23)20-11-9-19(29)10-12-20)22-24(31-13-3-4-14-31)27(36)32(25(22)34)15-17-5-7-18(28)8-6-17/h5-12,16,30H,3-4,13-15H2,1-2H3
InChIKeyQANWGZMYDJVDQS-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.94
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 42817713) has the molecular formula C27H26F2N4O3 and a molecular weight of 492.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID42817713
Molecular FormulaC27H26F2N4O3
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCC(C)c1[nH]n(-c2ccc(F)cc2)c(=O)c1C1=C(N2CCCC2)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H26F2N4O3/c1-16(2)23-21(26(35)33(30-23)20-11-9-19(29)10-12-20)22-24(31-13-3-4-14-31)27(36)32(25(22)34)15-17-5-7-18(28)8-6-17/h5-12,16,30H,3-4,13-15H2,1-2H3
InChIKeyQANWGZMYDJVDQS-UHFFFAOYSA-N
XLogP3.94
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.94
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

5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 5306234
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 24979003
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17518675
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3980941
1-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17525008
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16255046
1-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 24817898
1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 24978881
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 27234475
3-(5-hydroxy-4-methyl-1-phenyl-1H-pyrazol-3-yl)-1-phenylpyrrolidine-2,5-dione
CID 660007
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2554997
N-(2,4-difluorophenyl)-2-[5-(4-isopropylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
CID 18591197

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 42817713) is 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione is CC(C)c1[nH]n(-c2ccc(F)cc2)c(=O)c1C1=C(N2CCCC2)C(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is QANWGZMYDJVDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O3/c1-16(2)23-21(26(35)33(30-23)20-11-9-19(29)10-12-20)22-24(31-13-3-4-14-31)27(36)32(25(22)34)15-17-5-7-18(28)8-6-17/h5-12,16,30H,3-4,13-15H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 492.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 42817713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).