3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine

C16H20FN3 — CID 80682298

IUPAC3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCn1cc(CCNC2CC(c3cccc(F)c3)C2)cn1
InChIInChI=1S/C16H20FN3/c1-20-11-12(10-19-20)5-6-18-16-8-14(9-16)13-3-2-4-15(17)7-13/h2-4,7,10-11,14,16,18H,5-6,8-9H2,1H3
InChIKeyXBAMBTAGQGTJPL-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.64
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine

3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 80682298) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
PubChem CID80682298
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCn1cc(CCNC2CC(c3cccc(F)c3)C2)cn1
InChIInChI=1S/C16H20FN3/c1-20-11-12(10-19-20)5-6-18-16-8-14(9-16)13-3-2-4-15(17)7-13/h2-4,7,10-11,14,16,18H,5-6,8-9H2,1H3
InChIKeyXBAMBTAGQGTJPL-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-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

3-(3-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclobutan-1-amine
CID 65232395
3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116643185
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
4-fluoro-2-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 113240613
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
N-[(2,6-difluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730093
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729131

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine (CID 80682298) is 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine is Cn1cc(CCNC2CC(c3cccc(F)c3)C2)cn1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is XBAMBTAGQGTJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-20-11-12(10-19-20)5-6-18-16-8-14(9-16)13-3-2-4-15(17)7-13/h2-4,7,10-11,14,16,18H,5-6,8-9H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 273.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 80682298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).