1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine

C16H17N3O — CID 146288251

IUPAC1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
SMILESCOc1ccc(Cn2ncc3c(N)c(C)ccc32)cc1
InChIInChI=1S/C16H17N3O/c1-11-3-8-15-14(16(11)17)9-18-19(15)10-12-4-6-13(20-2)7-5-12/h3-9H,10,17H2,1-2H3
InChIKeyFCXGDWKCSKFSNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.98
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine

1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine (PubChem CID 146288251) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
PubChem CID146288251
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
SMILESCOc1ccc(Cn2ncc3c(N)c(C)ccc32)cc1
InChIInChI=1S/C16H17N3O/c1-11-3-8-15-14(16(11)17)9-18-19(15)10-12-4-6-13(20-2)7-5-12/h3-9H,10,17H2,1-2H3
InChIKeyFCXGDWKCSKFSNZ-UHFFFAOYSA-N
XLogP2.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(4-methoxyphenyl)methyl]indazol-6-yl]hydrazine
CID 155304137
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588748
4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxyaniline
CID 59398527
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine
CID 70925358
[4-[(4-methoxypyrazolo[4,5-c]pyridin-1-yl)methyl]phenoxy]boronic acid
CID 169006320
carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
CID 159506500
6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 168931973
1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
CID 123309959

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine (CID 146288251) is 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine is COc1ccc(Cn2ncc3c(N)c(C)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine?
The InChIKey is FCXGDWKCSKFSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-3-8-15-14(16(11)17)9-18-19(15)10-12-4-6-13(20-2)7-5-12/h3-9H,10,17H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine?
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine has a molecular weight of 267.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine is sourced from PubChem (CID 146288251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).