1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one

C22H24N4O3 — CID 158226368

IUPAC1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one
SMILESCOc1ccc(Cn2ncc3c2CCCC3=O)cc1.O=C1CCCc2[nH]ncc21
InChIInChI=1S/C15H16N2O2.C7H8N2O/c1-19-12-7-5-11(6-8-12)10-17-14-3-2-4-15(18)13(14)9-16-17;10-7-3-1-2-6-5(7)4-8-9-6/h5-9H,2-4,10H2,1H3;4H,1-3H2,(H,8,9)
InChIKeyGDVQVQAAMGFRDZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.39
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one

1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one (PubChem CID 158226368) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one
PubChem CID158226368
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one
SMILESCOc1ccc(Cn2ncc3c2CCCC3=O)cc1.O=C1CCCc2[nH]ncc21
InChIInChI=1S/C15H16N2O2.C7H8N2O/c1-19-12-7-5-11(6-8-12)10-17-14-3-2-4-15(18)13(14)9-16-17;10-7-3-1-2-6-5(7)4-8-9-6/h5-9H,2-4,10H2,1H3;4H,1-3H2,(H,8,9)
InChIKeyGDVQVQAAMGFRDZ-UHFFFAOYSA-N
XLogP3.39
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-indazol-2-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 137646733
6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134809527
N-{2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91892712
3-(1,3-Diphenylpyrazol-4-yl)-7-methoxy-1,5-dihydropyrazolo[4,5-c]quinolin-4-one
CID 139230868
1-[1-[(4-Methoxyphenyl)methyl]-5-methylpyrazol-4-yl]ethanone
CID 138755640
1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228874
1-[2-(4-Methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 98479345
5-(2-fluorobenzyl)-1-(4-methoxybenzyl)-1H-pyrazole-4-carbaldehyde
CID 90083127
1-(1H-indazol-3-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]ethanone
CID 148364452
1-[7-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone
CID 160432090
1-[1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindol-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 167595266
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-fluoro-4-methoxybenzamide
CID 55622296

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one (CID 158226368) is 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one is COc1ccc(Cn2ncc3c2CCCC3=O)cc1.O=C1CCCc2[nH]ncc21.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is GDVQVQAAMGFRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C7H8N2O/c1-19-12-7-5-11(6-8-12)10-17-14-3-2-4-15(18)13(14)9-16-17;10-7-3-1-2-6-5(7)4-8-9-6/h5-9H,2-4,10H2,1H3;4H,1-3H2,(H,8,9).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one?
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one;1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 158226368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).