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

C18H23N3O2 — CID 20954080

IUPAC7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCC(C)C
InChIInChI=1S/C18H23N3O2/c1-11(2)8-9-19-18(22)17-15-6-4-12-10-13(23-3)5-7-14(12)16(15)20-21-17/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQEIWPRYLPCFLCD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.96
Rot. Bonds5

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

7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954080) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954080
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCC(C)C
InChIInChI=1S/C18H23N3O2/c1-11(2)8-9-19-18(22)17-15-6-4-12-10-13(23-3)5-7-14(12)16(15)20-21-17/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQEIWPRYLPCFLCD-UHFFFAOYSA-N
XLogP2.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N'-[(E)-(3-methoxyphenyl)methylidene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862143
7-methoxy-N-methyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20954267
5-methoxy-N-[[1-[2-(3-methylcyclohexyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 89777804
5-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 117762724
3-(4-methoxyphenyl)-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027678
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
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 667010
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 2032190
(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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954080) is 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCC(C)C.
What is the InChIKey of 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is QEIWPRYLPCFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(2)8-9-19-18(22)17-15-6-4-12-10-13(23-3)5-7-14(12)16(15)20-21-17/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylbutyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).