2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C22H23N5O — CID 46999120

IUPAC2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3cc(-c4c(C)cccc4C)ccc32)n(C)n1
InChIInChI=1S/C22H23N5O/c1-14-6-5-7-15(2)22(14)17-8-9-19-18(11-17)12-23-27(19)13-21(28)24-20-10-16(3)25-26(20)4/h5-12H,13H2,1-4H3,(H,24,28)
InChIKeyXJOWFYJGLODWGP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.00
Rot. Bonds4

About 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 46999120) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID46999120
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3cc(-c4c(C)cccc4C)ccc32)n(C)n1
InChIInChI=1S/C22H23N5O/c1-14-6-5-7-15(2)22(14)17-8-9-19-18(11-17)12-23-27(19)13-21(28)24-20-10-16(3)25-26(20)4/h5-12H,13H2,1-4H3,(H,24,28)
InChIKeyXJOWFYJGLODWGP-UHFFFAOYSA-N
XLogP4.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
CID 46982211
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 33019725
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46985324
2-(5-aminoindazol-1-yl)-N-methylacetamide
CID 89156128
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46998277
N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 46992082
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 46999120) is 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ncc3cc(-c4c(C)cccc4C)ccc32)n(C)n1.
What is the InChIKey of 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is XJOWFYJGLODWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-6-5-7-15(2)22(14)17-8-9-19-18(11-17)12-23-27(19)13-21(28)24-20-10-16(3)25-26(20)4/h5-12H,13H2,1-4H3,(H,24,28).
What are the key properties of 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46999120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).