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

C15H20FN3 — CID 103948871

IUPAC1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCn1cc(C)cn1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-15(13-6-4-5-7-14(13)16)17-8-9-19-11-12(2)10-18-19/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyRTBBPOJHULPXFL-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.07
Rot. Bonds6

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

1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (PubChem CID 103948871) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
PubChem CID103948871
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCn1cc(C)cn1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-15(13-6-4-5-7-14(13)16)17-8-9-19-11-12(2)10-18-19/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyRTBBPOJHULPXFL-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 102612940
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
1-(2-fluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103949567
1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 112678315
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
N-[(2-chloro-3-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103897855
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (CID 103948871) is 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is CCC(NCCn1cc(C)cn1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The InChIKey is RTBBPOJHULPXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-15(13-6-4-5-7-14(13)16)17-8-9-19-11-12(2)10-18-19/h4-7,10-11,15,17H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103948871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).