3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine

C17H24FN3O — CID 126749811

IUPAC3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC(C)c1nn(-c2ccc(F)cc2)cc1OCCCN(C)C
InChIInChI=1S/C17H24FN3O/c1-13(2)17-16(22-11-5-10-20(3)4)12-21(19-17)15-8-6-14(18)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyMQSAIYLIOXIKRU-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.47
Rot. Bonds7

About 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine

3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 126749811) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID126749811
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC(C)c1nn(-c2ccc(F)cc2)cc1OCCCN(C)C
InChIInChI=1S/C17H24FN3O/c1-13(2)17-16(22-11-5-10-20(3)4)12-21(19-17)15-8-6-14(18)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyMQSAIYLIOXIKRU-UHFFFAOYSA-N
XLogP3.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,3-Dimethylbutoxy)-5-fluorophenyl]-3-(trifluoromethyl)pyrazole
CID 70807979
4-Ethoxy-1-(4-fluorophenyl)pyrazole
CID 89921873
1-(4-Fluorophenyl)-4-propan-2-yloxypyrazole
CID 89921885
4-Ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole
CID 123321176
1-[3-[1-(4-Fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine
CID 126749806
1-(4-Fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole
CID 126749868
4-butan-2-yloxy-1-(3-fluoro-5-methylphenyl)-3-(2-methoxy-8H-benzo[7]annulen-6-yl)pyrazole
CID 134372624
1-Cyclobutyl-4-[[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]piperidine
CID 138707891
4-[[3-Cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclopropylpiperidine
CID 138707899
4-[[3-Cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]oxymethyl]-1-cyclohexylpiperidine
CID 138707950
1-[2-Fluoro-4-(trifluoromethyl)phenyl]-4-(2,2,3,3,4,4,4-heptafluorobutoxy)pyrazole
CID 156732747
4-[[3-Fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine
CID 174658418

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine (CID 126749811) is 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine is CC(C)c1nn(-c2ccc(F)cc2)cc1OCCCN(C)C.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is MQSAIYLIOXIKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-13(2)17-16(22-11-5-10-20(3)4)12-21(19-17)15-8-6-14(18)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine?
3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 305.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 126749811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).