N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine

C17H24FN3 — CID 115706688

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine
SMILESCCC(NCCCn1nc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-4-17(15-6-8-16(18)9-7-15)19-10-5-11-21-14(3)12-13(2)20-21/h6-9,12,17,19H,4-5,10-11H2,1-3H3
InChIKeyRJABRJXKQZWZQL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.77
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine (PubChem CID 115706688) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine
PubChem CID115706688
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine
SMILESCCC(NCCCn1nc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-4-17(15-6-8-16(18)9-7-15)19-10-5-11-21-14(3)12-13(2)20-21/h6-9,12,17,19H,4-5,10-11H2,1-3H3
InChIKeyRJABRJXKQZWZQL-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.77
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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine
CID 115706617
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine
CID 111713928
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55751308
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(4-fluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 103882349
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86999446
N-[(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78804287
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115574536
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine (CID 115706688) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine is CCC(NCCCn1nc(C)cc1C)c1ccc(F)cc1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is RJABRJXKQZWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-17(15-6-8-16(18)9-7-15)19-10-5-11-21-14(3)12-13(2)20-21/h6-9,12,17,19H,4-5,10-11H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 115706688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).