5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide

C17H16ClN3O4 — CID 22510511

IUPAC5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1cc(NC(=O)n2ncc3cc(Cl)ccc32)cc(OC)c1OC
InChIInChI=1S/C17H16ClN3O4/c1-23-14-7-12(8-15(24-2)16(14)25-3)20-17(22)21-13-5-4-11(18)6-10(13)9-19-21/h4-9H,1-3H3,(H,20,22)
InChIKeySSDJCZIBCLOZNO-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.80
Rot. Bonds4

About 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide

5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide (PubChem CID 22510511) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide
PubChem CID22510511
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide
SMILESCOc1cc(NC(=O)n2ncc3cc(Cl)ccc32)cc(OC)c1OC
InChIInChI=1S/C17H16ClN3O4/c1-23-14-7-12(8-15(24-2)16(14)25-3)20-17(22)21-13-5-4-11(18)6-10(13)9-19-21/h4-9H,1-3H3,(H,20,22)
InChIKeySSDJCZIBCLOZNO-UHFFFAOYSA-N
XLogP3.80
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 22510623
5-chloro-N-(3,5-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 22510700
N-(3,4-dimethoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510424
5-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 16016957
5-chloro-N-(4-methoxyphenyl)-1H-indazole-1-carboxamide
CID 22510483
N-1,3-benzodioxol-5-yl-5-chloro-1H-indazole-1-carboxamide
CID 53006452
6-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)indazole
CID 177651523
5-chloro-N-(3-methoxyphenyl)-1H-indazole-1-carboxamide
CID 22510452
5-chloro-N-(2,5-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 22510585
5-chloro-N-(2,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 50756049
N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 53006428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-1-carboxamide
CID 53006433

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide?
The IUPAC name of 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide (CID 22510511) is 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide?
The canonical SMILES for 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide is COc1cc(NC(=O)n2ncc3cc(Cl)ccc32)cc(OC)c1OC.
What is the InChIKey of 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide?
The InChIKey is SSDJCZIBCLOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-23-14-7-12(8-15(24-2)16(14)25-3)20-17(22)21-13-5-4-11(18)6-10(13)9-19-21/h4-9H,1-3H3,(H,20,22).
What are the key properties of 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide?
5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4,5-trimethoxyphenyl)indazole-1-carboxamide is sourced from PubChem (CID 22510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).