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

C16H20FN3 — CID 104651117

IUPAC3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCn1ccc(CCNC2CC(c3ccccc3F)C2)n1
InChIInChI=1S/C16H20FN3/c1-20-9-7-13(19-20)6-8-18-14-10-12(11-14)15-4-2-3-5-16(15)17/h2-5,7,9,12,14,18H,6,8,10-11H2,1H3
InChIKeyXEUSNTPTNIZIAT-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.64
Rot. Bonds5

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

3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 104651117) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
PubChem CID104651117
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCn1ccc(CCNC2CC(c3ccccc3F)C2)n1
InChIInChI=1S/C16H20FN3/c1-20-9-7-13(19-20)6-8-18-14-10-12(11-14)15-4-2-3-5-16(15)17/h2-5,7,9,12,14,18H,6,8,10-11H2,1H3
InChIKeyXEUSNTPTNIZIAT-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

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Related Compounds

3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882732
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104629142
3-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635483
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 104629206
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
3-(2-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80680673
3-(2-bromophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80681078
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
3-(2-methoxyphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80684219
3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine
CID 80725303

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine (CID 104651117) is 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine is Cn1ccc(CCNC2CC(c3ccccc3F)C2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is XEUSNTPTNIZIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-20-9-7-13(19-20)6-8-18-14-10-12(11-14)15-4-2-3-5-16(15)17/h2-5,7,9,12,14,18H,6,8,10-11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine?
3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-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-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104651117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).