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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide
CID 18674041
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
CID 18674103
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 18674002
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 18674145
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047
2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 57467727
2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674096
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 18674147

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).