N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine

C16H16FN3O — CID 22480282

IUPACN-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine
SMILESCCONCc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H16FN3O/c1-2-21-18-10-11-3-8-15-14(9-11)16(20-19-15)12-4-6-13(17)7-5-12/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyCFRXZAVXVUETPG-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.41
Rot. Bonds5

About N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine

N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine (PubChem CID 22480282) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine.

Molecular Properties

Compound NameN-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine
PubChem CID22480282
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine
SMILESCCONCc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H16FN3O/c1-2-21-18-10-11-3-8-15-14(9-11)16(20-19-15)12-4-6-13(17)7-5-12/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyCFRXZAVXVUETPG-UHFFFAOYSA-N
XLogP3.41
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-3-phenyl-1H-indazole
CID 164611597
3-phenyl-1H-indazole
CID 300385
1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
CID 132282552
5-(2-propan-2-ylphenyl)-1H-indazole
CID 90645445
5-Methyl-3-phenyl-1H-indazole
CID 610412
5-Phenyl-1H-indazole
CID 15240186
[(6-Fluoro-1H-indazol-3-yl)methyl]amine
CID 49657938
5-(2-fluorophenyl)-1H-indazole
CID 90645442
3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 90645456
3-Benzyl-1H-indazole
CID 3139604
3-(m-Tolyl)-1h-indazole
CID 69424522
N,N-dimethyl-1-[5-(2-methylphenyl)-2H-indazol-3-yl]methanamine
CID 137366130

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
The IUPAC name of N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine (CID 22480282) is N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine.
What is the SMILES notation for N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
The canonical SMILES for N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine is CCONCc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
The InChIKey is CFRXZAVXVUETPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-21-18-10-11-3-8-15-14(9-11)16(20-19-15)12-4-6-13(17)7-5-12/h3-9,18H,2,10H2,1H3,(H,19,20).
What are the key properties of N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine is sourced from PubChem (CID 22480282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).