2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

C23H18F2N4O — CID 18674127

IUPAC2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C23H18F2N4O/c1-29-23(27-20(30)14-15-2-6-18(24)7-3-15)21(16-10-12-26-13-11-16)22(28-29)17-4-8-19(25)9-5-17/h2-13H,14H2,1H3,(H,27,30)
InChIKeyIRPOLWGXVSKPSS-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.61
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674127) has the molecular formula C23H18F2N4O and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674127
Molecular FormulaC23H18F2N4O
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C23H18F2N4O/c1-29-23(27-20(30)14-15-2-6-18(24)7-3-15)21(16-10-12-26-13-11-16)22(28-29)17-4-8-19(25)9-5-17/h2-13H,14H2,1H3,(H,27,30)
InChIKeyIRPOLWGXVSKPSS-UHFFFAOYSA-N
XLogP4.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674127) is 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is IRPOLWGXVSKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O/c1-29-23(27-20(30)14-15-2-6-18(24)7-3-15)21(16-10-12-26-13-11-16)22(28-29)17-4-8-19(25)9-5-17/h2-13H,14H2,1H3,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 404.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).