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

C25H22FN5O2 — CID 70000100

IUPAC2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
SMILESCC(=O)NC(C(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C)c1ccccc1
InChIInChI=1S/C25H22FN5O2/c1-16(32)28-23(18-6-4-3-5-7-18)25(33)29-24-21(17-12-14-27-15-13-17)22(30-31(24)2)19-8-10-20(26)11-9-19/h3-15,23H,1-2H3,(H,28,32)(H,29,33)
InChIKeyNGLNSHLQOURSJZ-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.10
Rot. Bonds6

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

2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide (PubChem CID 70000100) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
PubChem CID70000100
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
SMILESCC(=O)NC(C(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C)c1ccccc1
InChIInChI=1S/C25H22FN5O2/c1-16(32)28-23(18-6-4-3-5-7-18)25(33)29-24-21(17-12-14-27-15-13-17)22(30-31(24)2)19-8-10-20(26)11-9-19/h3-15,23H,1-2H3,(H,28,32)(H,29,33)
InChIKeyNGLNSHLQOURSJZ-UHFFFAOYSA-N
XLogP4.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The IUPAC name of 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide (CID 70000100) is 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The canonical SMILES for 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide is CC(=O)NC(C(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C)c1ccccc1.
What is the InChIKey of 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The InChIKey is NGLNSHLQOURSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-16(32)28-23(18-6-4-3-5-7-18)25(33)29-24-21(17-12-14-27-15-13-17)22(30-31(24)2)19-8-10-20(26)11-9-19/h3-15,23H,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide has a molecular weight of 443.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 70000100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).