6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine

C15H14FN3O — CID 66611436

IUPAC6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine
SMILESCOc1ccc(Cn2ncc3c(N)cc(F)cc32)cc1
InChIInChI=1S/C15H14FN3O/c1-20-12-4-2-10(3-5-12)9-19-15-7-11(16)6-14(17)13(15)8-18-19/h2-8H,9,17H2,1H3
InChIKeyGTBRCIVUALCELB-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.81
Rot. Bonds3

About 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine

6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine (PubChem CID 66611436) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine.

Molecular Properties

Compound Name6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine
PubChem CID66611436
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine
SMILESCOc1ccc(Cn2ncc3c(N)cc(F)cc32)cc1
InChIInChI=1S/C15H14FN3O/c1-20-12-4-2-10(3-5-12)9-19-15-7-11(16)6-14(17)13(15)8-18-19/h2-8H,9,17H2,1H3
InChIKeyGTBRCIVUALCELB-UHFFFAOYSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine?
The IUPAC name of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine (CID 66611436) is 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine.
What is the SMILES notation for 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine?
The canonical SMILES for 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine is COc1ccc(Cn2ncc3c(N)cc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine?
The InChIKey is GTBRCIVUALCELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-20-12-4-2-10(3-5-12)9-19-15-7-11(16)6-14(17)13(15)8-18-19/h2-8H,9,17H2,1H3.
What are the key properties of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine?
6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine has a molecular weight of 271.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-4-amine is sourced from PubChem (CID 66611436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).