2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide

C21H22FN3O — CID 97152826

IUPAC2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(F)cc1CC(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C21H22FN3O/c1-14-9-10-18(22)11-17(14)12-21(26)24-15(2)20-13-23-25(16(20)3)19-7-5-4-6-8-19/h4-11,13,15H,12H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyPFUWHTWFFRHKLP-OAHLLOKOSA-N
MW351.43 g/mol
LogP4.05
Rot. Bonds5

About 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide

2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 97152826) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID97152826
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(F)cc1CC(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C21H22FN3O/c1-14-9-10-18(22)11-17(14)12-21(26)24-15(2)20-13-23-25(16(20)3)19-7-5-4-6-8-19/h4-11,13,15H,12H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyPFUWHTWFFRHKLP-OAHLLOKOSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide 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

2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 42525671
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-oxo-4-phenylbutanamide
CID 97145584
N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 97156505
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
CID 47089574
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45226568
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 51938661
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 55579208
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 45185399
(1S)-N-[(2,5-dimethylphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25299151

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide (CID 97152826) is 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide is Cc1ccc(F)cc1CC(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is PFUWHTWFFRHKLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-14-9-10-18(22)11-17(14)12-21(26)24-15(2)20-13-23-25(16(20)3)19-7-5-4-6-8-19/h4-11,13,15H,12H2,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide?
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 97152826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).