2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine

C14H18FN3 — CID 82086518

IUPAC2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
SMILESCC(C)c1cc(CCN)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-10(2)14-9-12(7-8-16)17-18(14)13-5-3-11(15)4-6-13/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyYIBUFDJFYXUPRB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.64
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine

2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine (PubChem CID 82086518) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
PubChem CID82086518
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
SMILESCC(C)c1cc(CCN)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-10(2)14-9-12(7-8-16)17-18(14)13-5-3-11(15)4-6-13/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyYIBUFDJFYXUPRB-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072636
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
3-(bromomethyl)-1-phenyl-5-propan-2-ylpyrazole
CID 22832010
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83987177
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072157
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072742
2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83820004
5-(2-aminoethyl)-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 136999576
[1-(5-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091414

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine (CID 82086518) is 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine is CC(C)c1cc(CCN)nn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine?
The InChIKey is YIBUFDJFYXUPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(2)14-9-12(7-8-16)17-18(14)13-5-3-11(15)4-6-13/h3-6,9-10H,7-8,16H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine?
2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82086518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).