N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide

C19H21N3O3 — CID 78866009

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2n[nH]c3ccc(C)cc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-11-5-7-15-14(9-11)18(22-21-15)19(23)20-12(2)13-6-8-16(24-3)17(10-13)25-4/h5-10,12H,1-4H3,(H,20,23)(H,21,22)
InChIKeyPMVHBKVPDHYASC-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78866009) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78866009
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2n[nH]c3ccc(C)cc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-11-5-7-15-14(9-11)18(22-21-15)19(23)20-12(2)13-6-8-16(24-3)17(10-13)25-4/h5-10,12H,1-4H3,(H,20,23)(H,21,22)
InChIKeyPMVHBKVPDHYASC-UHFFFAOYSA-N
XLogP3.38
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78867985
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide (CID 78866009) is N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide is COc1ccc(C(C)NC(=O)c2n[nH]c3ccc(C)cc23)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is PMVHBKVPDHYASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-5-7-15-14(9-11)18(22-21-15)19(23)20-12(2)13-6-8-16(24-3)17(10-13)25-4/h5-10,12H,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78866009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).