N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H21N3O — CID 20892314

IUPACN-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1C
InChIInChI=1S/C17H21N3O/c1-12-7-8-15(9-13(12)2)18-17(21)11-20-10-14-5-3-4-6-16(14)19-20/h7-10H,3-6,11H2,1-2H3,(H,18,21)
InChIKeyFEURBYVXLBGRJZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.02
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892314) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892314
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1C
InChIInChI=1S/C17H21N3O/c1-12-7-8-15(9-13(12)2)18-17(21)11-20-10-14-5-3-4-6-16(14)19-20/h7-10H,3-6,11H2,1-2H3,(H,18,21)
InChIKeyFEURBYVXLBGRJZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]benzoate
CID 20892436
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)-N-methylacetamide
CID 20892501
N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892385
N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309546
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892336
N-(3,4-dimethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9404002
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 126457056
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
CID 20887528
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 20892457
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892341

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892314) is N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is Cc1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is FEURBYVXLBGRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-8-15(9-13(12)2)18-17(21)11-20-10-14-5-3-4-6-16(14)19-20/h7-10H,3-6,11H2,1-2H3,(H,18,21).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.02, 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-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).