N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide

C17H17N3O — CID 20885361

IUPACN-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ncc3ccccc32)c1
InChIInChI=1S/C17H17N3O/c1-12-7-13(2)9-15(8-12)19-17(21)11-20-16-6-4-3-5-14(16)10-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyOIBHRRUCDZATRT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.29
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide

N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide (PubChem CID 20885361) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
PubChem CID20885361
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ncc3ccccc32)c1
InChIInChI=1S/C17H17N3O/c1-12-7-13(2)9-15(8-12)19-17(21)11-20-16-6-4-3-5-14(16)10-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyOIBHRRUCDZATRT-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539
ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
CID 71869717
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-[4-(2-hydroxyethoxy)phenyl]-2-indazol-1-ylacetamide
CID 111116081
2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131952566
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
CID 97260617

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide (CID 20885361) is N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide is Cc1cc(C)cc(NC(=O)Cn2ncc3ccccc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide?
The InChIKey is OIBHRRUCDZATRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-13(2)9-15(8-12)19-17(21)11-20-16-6-4-3-5-14(16)10-18-20/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide?
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 20885361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).