2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide

C17H21N3O — CID 154738802

IUPAC2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
SMILESCCc1cccc(CC(=O)NC2CCCc3cn[nH]c32)c1
InChIInChI=1S/C17H21N3O/c1-2-12-5-3-6-13(9-12)10-16(21)19-15-8-4-7-14-11-18-20-17(14)15/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyUJDBBPRWJBIRBY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.71
Rot. Bonds4

About 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide

2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide (PubChem CID 154738802) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
PubChem CID154738802
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
SMILESCCc1cccc(CC(=O)NC2CCCc3cn[nH]c32)c1
InChIInChI=1S/C17H21N3O/c1-2-12-5-3-6-13(9-12)10-16(21)19-15-8-4-7-14-11-18-20-17(14)15/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyUJDBBPRWJBIRBY-UHFFFAOYSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
The IUPAC name of 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide (CID 154738802) is 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide.
What is the SMILES notation for 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
The canonical SMILES for 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide is CCc1cccc(CC(=O)NC2CCCc3cn[nH]c32)c1.
What is the InChIKey of 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
The InChIKey is UJDBBPRWJBIRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-12-5-3-6-13(9-12)10-16(21)19-15-8-4-7-14-11-18-20-17(14)15/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide is sourced from PubChem (CID 154738802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).