N-(3,4-dimethoxyphenyl)indazole-1-carboxamide

C16H15N3O3 — CID 53006428

IUPACN-(3,4-dimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3ccccc32)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-8-7-12(9-15(14)22-2)18-16(20)19-13-6-4-3-5-11(13)10-17-19/h3-10H,1-2H3,(H,18,20)
InChIKeySVIPYAQZCRLLEY-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.13
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)indazole-1-carboxamide

N-(3,4-dimethoxyphenyl)indazole-1-carboxamide (PubChem CID 53006428) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)indazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)indazole-1-carboxamide
PubChem CID53006428
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(3,4-dimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3ccccc32)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-8-7-12(9-15(14)22-2)18-16(20)19-13-6-4-3-5-11(13)10-17-19/h3-10H,1-2H3,(H,18,20)
InChIKeySVIPYAQZCRLLEY-UHFFFAOYSA-N
XLogP3.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)indazole-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)indazole-1-carboxamide (CID 53006428) is N-(3,4-dimethoxyphenyl)indazole-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)indazole-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)indazole-1-carboxamide is COc1ccc(NC(=O)n2ncc3ccccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)indazole-1-carboxamide?
The InChIKey is SVIPYAQZCRLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-14-8-7-12(9-15(14)22-2)18-16(20)19-13-6-4-3-5-11(13)10-17-19/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)indazole-1-carboxamide?
N-(3,4-dimethoxyphenyl)indazole-1-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)indazole-1-carboxamide is sourced from PubChem (CID 53006428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).