N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide

C17H17N3O2 — CID 71822195

IUPACN-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nn(C)c3ccccc23)c1
InChIInChI=1S/C17H17N3O2/c1-20-15-9-4-3-8-14(15)16(19-20)17(21)18-11-12-6-5-7-13(10-12)22-2/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyIZQCVCJOYHGGEU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.51
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide (PubChem CID 71822195) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
PubChem CID71822195
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nn(C)c3ccccc23)c1
InChIInChI=1S/C17H17N3O2/c1-20-15-9-4-3-8-14(15)16(19-20)17(21)18-11-12-6-5-7-13(10-12)22-2/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyIZQCVCJOYHGGEU-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59652368
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CID 47072758
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
6-[(3-methoxyphenyl)methylcarbamoylamino]-1-methyl-N-[(6R)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]indazole-3-carboxamide
CID 70830793
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100569

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide (CID 71822195) is N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide is COc1cccc(CNC(=O)c2nn(C)c3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide?
The InChIKey is IZQCVCJOYHGGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-15-9-4-3-8-14(15)16(19-20)17(21)18-11-12-6-5-7-13(10-12)22-2/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 71822195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).