3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide

C17H17N3O3 — CID 118959980

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1ccc(Cc2[nH]nc3ccc(C(N)=O)cc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-6-3-10(8-16(15)23-2)7-14-12-9-11(17(18)21)4-5-13(12)19-20-14/h3-6,8-9H,7H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyISFRXOHSDIWXFC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.27
Rot. Bonds5

About 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide

3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide (PubChem CID 118959980) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
PubChem CID118959980
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1ccc(Cc2[nH]nc3ccc(C(N)=O)cc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-6-3-10(8-16(15)23-2)7-14-12-9-11(17(18)21)4-5-13(12)19-20-14/h3-6,8-9H,7H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyISFRXOHSDIWXFC-UHFFFAOYSA-N
XLogP2.27
TPSA90.23 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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide
CID 118959992
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
3-methoxy-4-(2-oxobutoxy)benzamide
CID 62039571
1-[4-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-hydroxyethanone
CID 159036950
3-(aminomethyl)-2H-indazole-5-carboxylic acid
CID 83483911
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide (CID 118959980) is 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide is COc1ccc(Cc2[nH]nc3ccc(C(N)=O)cc23)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is ISFRXOHSDIWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-15-6-3-10(8-16(15)23-2)7-14-12-9-11(17(18)21)4-5-13(12)19-20-14/h3-6,8-9H,7H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118959980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).