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

C15H20FN3 — CID 102612940

IUPAC1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCn1cc(C)cn1)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-15(13-5-4-6-14(16)9-13)17-7-8-19-11-12(2)10-18-19/h4-6,9-11,15,17H,3,7-8H2,1-2H3
InChIKeyAOIILIVHBUNJDL-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.07
Rot. Bonds6

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

1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (PubChem CID 102612940) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
PubChem CID102612940
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCn1cc(C)cn1)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-15(13-5-4-6-14(16)9-13)17-7-8-19-11-12(2)10-18-19/h4-6,9-11,15,17H,3,7-8H2,1-2H3
InChIKeyAOIILIVHBUNJDL-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-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 103948871
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 109475281
1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114871153
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 102612965
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (CID 102612940) is 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is CCC(NCCn1cc(C)cn1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The InChIKey is AOIILIVHBUNJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-15(13-5-4-6-14(16)9-13)17-7-8-19-11-12(2)10-18-19/h4-6,9-11,15,17H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
1-(3-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-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102612940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).