1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide

C23H23ClFN5O3 — CID 21025996

IUPAC1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOC1CC(C(=O)Nc2ccc(-n3cccn3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23ClFN5O3/c1-2-33-18-13-21(29(14-18)23(32)27-16-6-4-15(24)5-7-16)22(31)28-20-9-8-17(12-19(20)25)30-11-3-10-26-30/h3-12,18,21H,2,13-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyFMOUUCHPDHJUJZ-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.31
Rot. Bonds6

About 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 21025996) has the molecular formula C23H23ClFN5O3 and a molecular weight of 471.92 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID21025996
Molecular FormulaC23H23ClFN5O3
Molecular Weight471.92 g/mol
Exact Mass471.15
IUPAC Name1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOC1CC(C(=O)Nc2ccc(-n3cccn3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23ClFN5O3/c1-2-33-18-13-21(29(14-18)23(32)27-16-6-4-15(24)5-7-16)22(31)28-20-9-8-17(12-19(20)25)30-11-3-10-26-30/h3-12,18,21H,2,13-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyFMOUUCHPDHJUJZ-UHFFFAOYSA-N
XLogP4.31
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide (CID 21025996) is 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide is CCOC1CC(C(=O)Nc2ccc(-n3cccn3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FMOUUCHPDHJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O3/c1-2-33-18-13-21(29(14-18)23(32)27-16-6-4-15(24)5-7-16)22(31)28-20-9-8-17(12-19(20)25)30-11-3-10-26-30/h3-12,18,21H,2,13-14H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 471.92 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-4-ethoxy-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21025996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).