3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide

C16H15N3O3 — CID 22479847

IUPAC3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-13-6-4-9(8-14(13)22-2)15-11-7-10(16(17)20)3-5-12(11)18-19-15/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyGTRHRRCYVASWCQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.35
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide (PubChem CID 22479847) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide
PubChem CID22479847
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-13-6-4-9(8-14(13)22-2)15-11-7-10(16(17)20)3-5-12(11)18-19-15/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyGTRHRRCYVASWCQ-UHFFFAOYSA-N
XLogP2.35
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.35
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)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide (CID 22479847) is 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide is COc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide?
The InChIKey is GTRHRRCYVASWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-13-6-4-9(8-14(13)22-2)15-11-7-10(16(17)20)3-5-12(11)18-19-15/h3-8H,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).