N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide

C17H17N3O3 — CID 2537481

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-18-17(21)16-12-5-3-4-6-13(12)19-20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDMRXDGPQUMHNQF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.51
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 2537481) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide
PubChem CID2537481
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-18-17(21)16-12-5-3-4-6-13(12)19-20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDMRXDGPQUMHNQF-UHFFFAOYSA-N
XLogP2.51
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide (CID 2537481) is N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide is COc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is DMRXDGPQUMHNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-18-17(21)16-12-5-3-4-6-13(12)19-20-16/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 2537481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).