5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one

C15H15N3O2 — CID 68729523

IUPAC5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one
SMILESCOc1cccc(Cn2[nH]c(=O)c3cc(N)ccc32)c1
InChIInChI=1S/C15H15N3O2/c1-20-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)15(19)17-18/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyYFUMFBDIFZFOOE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.97
Rot. Bonds3

About 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one

5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one (PubChem CID 68729523) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one.

Molecular Properties

Compound Name5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one
PubChem CID68729523
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one
SMILESCOc1cccc(Cn2[nH]c(=O)c3cc(N)ccc32)c1
InChIInChI=1S/C15H15N3O2/c1-20-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)15(19)17-18/h2-8H,9,16H2,1H3,(H,17,19)
InChIKeyYFUMFBDIFZFOOE-UHFFFAOYSA-N
XLogP1.97
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
CID 10521372
1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one
CID 10732532
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
CID 18379860
5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one
CID 110724068
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
7-amino-2-[(3-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228638
2-(3-aminophenyl)-7-[(3-methoxyphenyl)methyl]-1H-purin-6-one
CID 135708910
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one?
The IUPAC name of 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one (CID 68729523) is 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one.
What is the SMILES notation for 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one?
The canonical SMILES for 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one is COc1cccc(Cn2[nH]c(=O)c3cc(N)ccc32)c1.
What is the InChIKey of 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one?
The InChIKey is YFUMFBDIFZFOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)15(19)17-18/h2-8H,9,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one?
5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one has a molecular weight of 269.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one is sourced from PubChem (CID 68729523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).