2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine

C17H24FN3 — CID 103014722

IUPAC2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CCc1ccnn1C)c1ccccc1F
InChIInChI=1S/C17H24FN3/c1-3-11-19-13-14(16-6-4-5-7-17(16)18)8-9-15-10-12-20-21(15)2/h4-7,10,12,14,19H,3,8-9,11,13H2,1-2H3
InChIKeyLSDRNOJKCHPXII-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.28
Rot. Bonds8

About 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine

2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 103014722) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID103014722
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CCc1ccnn1C)c1ccccc1F
InChIInChI=1S/C17H24FN3/c1-3-11-19-13-14(16-6-4-5-7-17(16)18)8-9-15-10-12-20-21(15)2/h4-7,10,12,14,19H,3,8-9,11,13H2,1-2H3
InChIKeyLSDRNOJKCHPXII-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103010217
N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014723
3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
4-(1-methylimidazol-2-yl)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 114531502
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 104810862

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine (CID 103014722) is 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNCC(CCc1ccnn1C)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is LSDRNOJKCHPXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-11-19-13-14(16-6-4-5-7-17(16)18)8-9-15-10-12-20-21(15)2/h4-7,10,12,14,19H,3,8-9,11,13H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103014722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).