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

C18H20F3N3O — CID 1129692

IUPACN-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1C
InChIInChI=1S/C18H20F3N3O/c1-11-7-8-13(9-12(11)2)22-16(25)10-24-15-6-4-3-5-14(15)17(23-24)18(19,20)21/h7-9H,3-6,10H2,1-2H3,(H,22,25)
InChIKeyFECJETNCUMCLCA-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.04
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 1129692) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID1129692
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1C
InChIInChI=1S/C18H20F3N3O/c1-11-7-8-13(9-12(11)2)22-16(25)10-24-15-6-4-3-5-14(15)17(23-24)18(19,20)21/h7-9H,3-6,10H2,1-2H3,(H,22,25)
InChIKeyFECJETNCUMCLCA-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.04
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
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 1251996
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
n-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]phenyl}methyl)propanamide
CID 50992932
5-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 843371
N-[1-(3,4-Dimethyl-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-propionamide
CID 1078895
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129678
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309042

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 1129692) is N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is FECJETNCUMCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-11-7-8-13(9-12(11)2)22-16(25)10-24-15-6-4-3-5-14(15)17(23-24)18(19,20)21/h7-9H,3-6,10H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 1129692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).