3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide

C18H19N3O3 — CID 118959923

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C18H19N3O3/c1-19-18(22)12-5-6-14-13(10-12)15(21-20-14)8-11-4-7-16(23-2)17(9-11)24-3/h4-7,9-10H,8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDDLOAPULNRJWBM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.53
Rot. Bonds5

About 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide

3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide (PubChem CID 118959923) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide
PubChem CID118959923
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C18H19N3O3/c1-19-18(22)12-5-6-14-13(10-12)15(21-20-14)8-11-4-7-16(23-2)17(9-11)24-3/h4-7,9-10H,8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDDLOAPULNRJWBM-UHFFFAOYSA-N
XLogP2.53
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide (CID 118959923) is 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide is CNC(=O)c1ccc2n[nH]c(Cc3ccc(OC)c(OC)c3)c2c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide?
The InChIKey is DDLOAPULNRJWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-19-18(22)12-5-6-14-13(10-12)15(21-20-14)8-11-4-7-16(23-2)17(9-11)24-3/h4-7,9-10H,8H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide?
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 118959923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).