3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

C22H20FN4O4- — CID 86675590

IUPAC3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCOc1ccc(Cn2nc(N3CCN(Cc4ccc(F)cc4)C3=O)cc2C(=O)[O-])cc1
InChIInChI=1S/C22H21FN4O4/c1-31-18-8-4-16(5-9-18)14-27-19(21(28)29)12-20(24-27)26-11-10-25(22(26)30)13-15-2-6-17(23)7-3-15/h2-9,12H,10-11,13-14H2,1H3,(H,28,29)/p-1
InChIKeyZAGAWUJJVBUHQB-UHFFFAOYSA-M
MW423.42 g/mol
LogP1.88
Rot. Bonds7

About 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (PubChem CID 86675590) has the molecular formula C22H20FN4O4- and a molecular weight of 423.42 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
PubChem CID86675590
Molecular FormulaC22H20FN4O4-
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCOc1ccc(Cn2nc(N3CCN(Cc4ccc(F)cc4)C3=O)cc2C(=O)[O-])cc1
InChIInChI=1S/C22H21FN4O4/c1-31-18-8-4-16(5-9-18)14-27-19(21(28)29)12-20(24-27)26-11-10-25(22(26)30)13-15-2-6-17(23)7-3-15/h2-9,12H,10-11,13-14H2,1H3,(H,28,29)/p-1
InChIKeyZAGAWUJJVBUHQB-UHFFFAOYSA-M
XLogP1.88
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate
CID 175073848
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247786
2-(4-fluorophenyl)-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069592
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
CID 5023328
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 86715312
1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247869
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
CID 53187605
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxamide
CID 44553109
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051134

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (CID 86675590) is 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is COc1ccc(Cn2nc(N3CCN(Cc4ccc(F)cc4)C3=O)cc2C(=O)[O-])cc1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The InChIKey is ZAGAWUJJVBUHQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21FN4O4/c1-31-18-8-4-16(5-9-18)14-27-19(21(28)29)12-20(24-27)26-11-10-25(22(26)30)13-15-2-6-17(23)7-3-15/h2-9,12H,10-11,13-14H2,1H3,(H,28,29)/p-1.
What are the key properties of 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate has a molecular weight of 423.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is sourced from PubChem (CID 86675590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).