N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide

C17H17N3O2 — CID 91065050

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3n[nH]c(C)c23)cc1
InChIInChI=1S/C17H17N3O2/c1-11-16-14(4-3-5-15(16)20-19-11)17(21)18-10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUYVJBNOJSMFHMU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.81
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide (PubChem CID 91065050) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide
PubChem CID91065050
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3n[nH]c(C)c23)cc1
InChIInChI=1S/C17H17N3O2/c1-11-16-14(4-3-5-15(16)20-19-11)17(21)18-10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUYVJBNOJSMFHMU-UHFFFAOYSA-N
XLogP2.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
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CID 3350357
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide (CID 91065050) is N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide is COc1ccc(CNC(=O)c2cccc3n[nH]c(C)c23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide?
The InChIKey is UYVJBNOJSMFHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-16-14(4-3-5-15(16)20-19-11)17(21)18-10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide is sourced from PubChem (CID 91065050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).