2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine

C15H17FN4 — CID 83987557

IUPAC2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
SMILESCc1cc(C(CN)c2c[nH]c3ccc(F)cc23)n(C)n1
InChIInChI=1S/C15H17FN4/c1-9-5-15(20(2)19-9)12(7-17)13-8-18-14-4-3-10(16)6-11(13)14/h3-6,8,12,18H,7,17H2,1-2H3
InChIKeyVWCQAPTUDHFKHL-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.44
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine (PubChem CID 83987557) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
PubChem CID83987557
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
SMILESCc1cc(C(CN)c2c[nH]c3ccc(F)cc23)n(C)n1
InChIInChI=1S/C15H17FN4/c1-9-5-15(20(2)19-9)12(7-17)13-8-18-14-4-3-10(16)6-11(13)14/h3-6,8,12,18H,7,17H2,1-2H3
InChIKeyVWCQAPTUDHFKHL-UHFFFAOYSA-N
XLogP2.44
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 112539142
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 105077036

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine (CID 83987557) is 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine is Cc1cc(C(CN)c2c[nH]c3ccc(F)cc23)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The InChIKey is VWCQAPTUDHFKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-9-5-15(20(2)19-9)12(7-17)13-8-18-14-4-3-10(16)6-11(13)14/h3-6,8,12,18H,7,17H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine has a molecular weight of 272.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 83987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).