2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide

C15H15BrF3N3O — CID 1080175

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C15H15BrF3N3O/c1-9(11-6-4-3-5-7-11)20-12(23)8-22-10(2)13(16)14(21-22)15(17,18)19/h3-7,9H,8H2,1-2H3,(H,20,23)/t9-/m1/s1
InChIKeyNWKGZJKQFYZPLF-SECBINFHSA-N
MW390.20 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 1080175) has the molecular formula C15H15BrF3N3O and a molecular weight of 390.20 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID1080175
Molecular FormulaC15H15BrF3N3O
Molecular Weight390.20 g/mol
Exact Mass389.04
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C15H15BrF3N3O/c1-9(11-6-4-3-5-7-11)20-12(23)8-22-10(2)13(16)14(21-22)15(17,18)19/h3-7,9H,8H2,1-2H3,(H,20,23)/t9-/m1/s1
InChIKeyNWKGZJKQFYZPLF-SECBINFHSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 19523062
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19550307
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-phenylethyl)acetamide
CID 19517437
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19523453
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19523011
2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19524369
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19523127
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 749103
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]acetamide
CID 19523000
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 843517

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 1080175) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide is Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is NWKGZJKQFYZPLF-SECBINFHSA-N. The full InChI is InChI=1S/C15H15BrF3N3O/c1-9(11-6-4-3-5-7-11)20-12(23)8-22-10(2)13(16)14(21-22)15(17,18)19/h3-7,9H,8H2,1-2H3,(H,20,23)/t9-/m1/s1.
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 390.20 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 1080175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).