2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

C15H20FN3 — CID 79441071

IUPAC2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)n1ccc(CC(CN)c2cccc(F)c2)n1
InChIInChI=1S/C15H20FN3/c1-11(2)19-7-6-15(18-19)9-13(10-17)12-4-3-5-14(16)8-12/h3-8,11,13H,9-10,17H2,1-2H3
InChIKeyYIRCAILWKOVSML-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 79441071) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID79441071
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)n1ccc(CC(CN)c2cccc(F)c2)n1
InChIInChI=1S/C15H20FN3/c1-11(2)19-7-6-15(18-19)9-13(10-17)12-4-3-5-14(16)8-12/h3-8,11,13H,9-10,17H2,1-2H3
InChIKeyYIRCAILWKOVSML-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82870488
2-(3-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79443065
1-(3-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785502
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 64779066
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79432932

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 79441071) is 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is CC(C)n1ccc(CC(CN)c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is YIRCAILWKOVSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)19-7-6-15(18-19)9-13(10-17)12-4-3-5-14(16)8-12/h3-8,11,13H,9-10,17H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 79441071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).