2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide

C19H25N3O3 — CID 71808325

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nn(C)c3c2CCCC3)cc1OC
InChIInChI=1S/C19H25N3O3/c1-22-16-7-5-4-6-14(16)15(21-22)12-20-19(23)11-13-8-9-17(24-2)18(10-13)25-3/h8-10H,4-7,11-12H2,1-3H3,(H,20,23)
InChIKeyDJGLYNHTOPHVKE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.17
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide (PubChem CID 71808325) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide
PubChem CID71808325
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nn(C)c3c2CCCC3)cc1OC
InChIInChI=1S/C19H25N3O3/c1-22-16-7-5-4-6-14(16)15(21-22)12-20-19(23)11-13-8-9-17(24-2)18(10-13)25-3/h8-10H,4-7,11-12H2,1-3H3,(H,20,23)
InChIKeyDJGLYNHTOPHVKE-UHFFFAOYSA-N
XLogP2.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide (CID 71808325) is 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2nn(C)c3c2CCCC3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide?
The InChIKey is DJGLYNHTOPHVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-16-7-5-4-6-14(16)15(21-22)12-20-19(23)11-13-8-9-17(24-2)18(10-13)25-3/h8-10H,4-7,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]acetamide is sourced from PubChem (CID 71808325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).