2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide

C21H21ClFN3O — CID 42525671

IUPAC2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C21H21ClFN3O/c1-13-6-4-5-7-20(13)26-15(3)18(12-24-26)14(2)25-21(27)10-16-8-9-17(23)11-19(16)22/h4-9,11-12,14H,10H2,1-3H3,(H,25,27)/t14-/m0/s1
InChIKeyHWWCGMHHWQUPAT-AWEZNQCLSA-N
MW385.87 g/mol
LogP4.70
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide

2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide (PubChem CID 42525671) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
PubChem CID42525671
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C21H21ClFN3O/c1-13-6-4-5-7-20(13)26-15(3)18(12-24-26)14(2)25-21(27)10-16-8-9-17(23)11-19(16)22/h4-9,11-12,14H,10H2,1-3H3,(H,25,27)/t14-/m0/s1
InChIKeyHWWCGMHHWQUPAT-AWEZNQCLSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
CID 25280345
1-(2-fluorophenyl)-3-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 42558008
2-(benzimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97140542
1-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)urea
CID 45197403
ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
CID 42194625
N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 97130620
N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45176025
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97128887
1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 42591847
1-ethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 45191349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide (CID 42525671) is 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide is Cc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)c1C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
The InChIKey is HWWCGMHHWQUPAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c1-13-6-4-5-7-20(13)26-15(3)18(12-24-26)14(2)25-21(27)10-16-8-9-17(23)11-19(16)22/h4-9,11-12,14H,10H2,1-3H3,(H,25,27)/t14-/m0/s1.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide has a molecular weight of 385.87 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 42525671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).