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

C23H18F2N4O — CID 18674057

IUPAC2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)C(F)c1ccccc1
InChIInChI=1S/C23H18F2N4O/c1-29-22(27-23(30)20(25)16-5-3-2-4-6-16)19(15-11-13-26-14-12-15)21(28-29)17-7-9-18(24)10-8-17/h2-14,20H,1H3,(H,27,30)
InChIKeyJGGITXBXPYXTHR-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.94
Rot. Bonds5

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

2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide (PubChem CID 18674057) has the molecular formula C23H18F2N4O and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
PubChem CID18674057
Molecular FormulaC23H18F2N4O
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)C(F)c1ccccc1
InChIInChI=1S/C23H18F2N4O/c1-29-22(27-23(30)20(25)16-5-3-2-4-6-16)19(15-11-13-26-14-12-15)21(28-29)17-7-9-18(24)10-8-17/h2-14,20H,1H3,(H,27,30)
InChIKeyJGGITXBXPYXTHR-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The IUPAC name of 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide (CID 18674057) is 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The canonical SMILES for 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)C(F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The InChIKey is JGGITXBXPYXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O/c1-29-22(27-23(30)20(25)16-5-3-2-4-6-16)19(15-11-13-26-14-12-15)21(28-29)17-7-9-18(24)10-8-17/h2-14,20H,1H3,(H,27,30).
What are the key properties of 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide has a molecular weight of 404.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 18674057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).