N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C16H15BrF3N3O — CID 1129701

IUPACN-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrF3N3O/c17-10-5-7-11(8-6-10)21-14(24)9-23-13-4-2-1-3-12(13)15(22-23)16(18,19)20/h5-8H,1-4,9H2,(H,21,24)
InChIKeyMIOOZPFMXSTOBF-UHFFFAOYSA-N
MW402.21 g/mol
LogP4.18
Rot. Bonds3

About N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 1129701) has the molecular formula C16H15BrF3N3O and a molecular weight of 402.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID1129701
Molecular FormulaC16H15BrF3N3O
Molecular Weight402.21 g/mol
Exact Mass401.04
IUPAC NameN-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrF3N3O/c17-10-5-7-11(8-6-10)21-14(24)9-23-13-4-2-1-3-12(13)15(22-23)16(18,19)20/h5-8H,1-4,9H2,(H,21,24)
InChIKeyMIOOZPFMXSTOBF-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129678
N-(2-bromophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 5309546
N-{4-[2-(4-Bromo-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-acetamide
CID 10093810
N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 168281025
N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 807838
N-(3-chlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129680
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129684
N-(4-methylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798507
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 843392

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 1129701) is N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is MIOOZPFMXSTOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N3O/c17-10-5-7-11(8-6-10)21-14(24)9-23-13-4-2-1-3-12(13)15(22-23)16(18,19)20/h5-8H,1-4,9H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 402.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 1129701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).