7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C14H15N3O2 — CID 20954267

IUPAC7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2
InChIInChI=1S/C14H15N3O2/c1-15-14(18)13-11-5-3-8-7-9(19-2)4-6-10(8)12(11)16-17-13/h4,6-7H,3,5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKYKCGMDBAXTYMX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.54
Rot. Bonds2

About 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954267) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954267
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2
InChIInChI=1S/C14H15N3O2/c1-15-14(18)13-11-5-3-8-7-9(19-2)4-6-10(8)12(11)16-17-13/h4,6-7H,3,5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKYKCGMDBAXTYMX-UHFFFAOYSA-N
XLogP1.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(E)-(3-methoxyphenyl)methylidene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862143
7-methoxy-N-(3-methylbutyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20954080
7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
CID 3242152
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
(E)-N'-(3,4-dimethoxybenzylidene)-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862138
3-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 16022665
N-[(4-fluorophenyl)methyl]-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49790685
N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide
CID 2594697
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46948389
N'-[(1E)-(2,5-dimethoxyphenyl)methylene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862151
5-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 16022625
N-benzyl-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16034737

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954267) is 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is CNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2.
What is the InChIKey of 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is KYKCGMDBAXTYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-15-14(18)13-11-5-3-8-7-9(19-2)4-6-10(8)12(11)16-17-13/h4,6-7H,3,5H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).