N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine

C13H16FN3 — CID 113287971

IUPACN-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NC(C)c2cccc(F)c2)nn1C
InChIInChI=1S/C13H16FN3/c1-9-7-13(16-17(9)3)15-10(2)11-5-4-6-12(14)8-11/h4-8,10H,1-3H3,(H,15,16)
InChIKeyODUQMKSJGLCVIH-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.04
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine

N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 113287971) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
PubChem CID113287971
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NC(C)c2cccc(F)c2)nn1C
InChIInChI=1S/C13H16FN3/c1-9-7-13(16-17(9)3)15-10(2)11-5-4-6-12(14)8-11/h4-8,10H,1-3H3,(H,15,16)
InChIKeyODUQMKSJGLCVIH-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine 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

1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
CID 115922058
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019258
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81364940
4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831253
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159
N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329975
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 83089484

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine (CID 113287971) is N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine is Cc1cc(NC(C)c2cccc(F)c2)nn1C.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is ODUQMKSJGLCVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-7-13(16-17(9)3)15-10(2)11-5-4-6-12(14)8-11/h4-8,10H,1-3H3,(H,15,16).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine?
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 233.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 113287971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).