6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine

C15H14FN3O — CID 118472325

IUPAC6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine
SMILESCOc1ccc(Cn2nc(N)c3ccc(F)cc32)cc1
InChIInChI=1S/C15H14FN3O/c1-20-12-5-2-10(3-6-12)9-19-14-8-11(16)4-7-13(14)15(17)18-19/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyHZVYJZQODDSKLD-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.81
Rot. Bonds3

About 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine

6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine (PubChem CID 118472325) 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-3-amine.

Molecular Properties

Compound Name6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine
PubChem CID118472325
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine
SMILESCOc1ccc(Cn2nc(N)c3ccc(F)cc32)cc1
InChIInChI=1S/C15H14FN3O/c1-20-12-5-2-10(3-6-12)9-19-14-8-11(16)4-7-13(14)15(17)18-19/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyHZVYJZQODDSKLD-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

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Related Compounds

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CID 122574401
CID 122574404
CID 122574404
CID 122574423
CID 122574423
CID 122574480
CID 122574480
CID 122574532
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CID 24982167
CID 24982167
CID 25102385
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CID 25102387
CID 25102387

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine?
The IUPAC name of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine (CID 118472325) is 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine.
What is the SMILES notation for 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine?
The canonical SMILES for 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine is COc1ccc(Cn2nc(N)c3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine?
The InChIKey is HZVYJZQODDSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-20-12-5-2-10(3-6-12)9-19-14-8-11(16)4-7-13(14)15(17)18-19/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine?
6-fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-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-3-amine is sourced from PubChem (CID 118472325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).