2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide

C18H19N3O — CID 22509769

IUPAC2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H19N3O/c1-13(15-8-4-3-5-9-15)19-18(22)12-21-17-11-7-6-10-16(17)14(2)20-21/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKeyJTPAKOFCVOWXEC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide

2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 22509769) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID22509769
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H19N3O/c1-13(15-8-4-3-5-9-15)19-18(22)12-21-17-11-7-6-10-16(17)14(2)20-21/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKeyJTPAKOFCVOWXEC-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide
CID 22510290
2-(3-methylindazol-1-yl)-N-(2-methylphenyl)acetamide
CID 20886113
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1080175
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-phenylethyl)acetamide
CID 19517437
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 749103

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide (CID 22509769) is 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide is Cc1nn(CC(=O)NC(C)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is JTPAKOFCVOWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(15-8-4-3-5-9-15)19-18(22)12-21-17-11-7-6-10-16(17)14(2)20-21/h3-11,13H,12H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide?
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 22509769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).