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

C17H17N3O3 — CID 22510424

IUPACN-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3c(C)cccc32)cc1OC
InChIInChI=1S/C17H17N3O3/c1-11-5-4-6-14-13(11)10-18-20(14)17(21)19-12-7-8-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,19,21)
InChIKeyLSDRHPGKXFLQJK-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.44
Rot. Bonds3

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

N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide (PubChem CID 22510424) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide
PubChem CID22510424
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3c(C)cccc32)cc1OC
InChIInChI=1S/C17H17N3O3/c1-11-5-4-6-14-13(11)10-18-20(14)17(21)19-12-7-8-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,19,21)
InChIKeyLSDRHPGKXFLQJK-UHFFFAOYSA-N
XLogP3.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510376
N-(4-methoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510426
N-(2-ethoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510431
N-(4-ethoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510448
5-chloro-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 22510623
N~1~-(3,4-dimethoxyphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885229
N-(2-methoxy-5-methylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510450
N-(2-methoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016789
3-Amino-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide
CID 25197779
N-1,3-benzodioxol-5-yl-5-chloro-1H-indazole-1-carboxamide
CID 53006452
N-(2H-1,3-Benzodioxol-5-YL)-6-methyl-1H-indazole-1-carboxamide
CID 53033869
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 56974248

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide (CID 22510424) is N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide is COc1ccc(NC(=O)n2ncc3c(C)cccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide?
The InChIKey is LSDRHPGKXFLQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-5-4-6-14-13(11)10-18-20(14)17(21)19-12-7-8-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-methylindazole-1-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.44, 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)-4-methylindazole-1-carboxamide is sourced from PubChem (CID 22510424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).