1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine

C16H16FN3 — CID 123309959

IUPAC1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
SMILESCc1cc(C)c2c(cnn2Cc2ccc(F)cc2)c1N
InChIInChI=1S/C16H16FN3/c1-10-7-11(2)16-14(15(10)18)8-19-20(16)9-12-3-5-13(17)6-4-12/h3-8H,9,18H2,1-2H3
InChIKeyCZJZGGCUUFQOHF-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.42
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine

1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine (PubChem CID 123309959) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
PubChem CID123309959
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
SMILESCc1cc(C)c2c(cnn2Cc2ccc(F)cc2)c1N
InChIInChI=1S/C16H16FN3/c1-10-7-11(2)16-14(15(10)18)8-19-20(16)9-12-3-5-13(17)6-4-12/h3-8H,9,18H2,1-2H3
InChIKeyCZJZGGCUUFQOHF-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
CID 66439624
7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16671056
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
1-ethyl-5-[(4-fluorophenyl)methoxy]-4-methylpyrazole
CID 58765046
1-(3,4-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846861
4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine
CID 15129849
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 79542224
2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
CID 62122331

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine (CID 123309959) is 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine is Cc1cc(C)c2c(cnn2Cc2ccc(F)cc2)c1N.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine?
The InChIKey is CZJZGGCUUFQOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-10-7-11(2)16-14(15(10)18)8-19-20(16)9-12-3-5-13(17)6-4-12/h3-8H,9,18H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine?
1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine has a molecular weight of 269.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine is sourced from PubChem (CID 123309959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).