1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine

C14H18FN3O — CID 50999579

IUPAC1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1CCCCOc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-11-10-14(16)17-18(11)8-2-3-9-19-13-6-4-12(15)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H2,16,17)
InChIKeyITSJKUMSCQVQQE-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.77
Rot. Bonds6

About 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine

1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine (PubChem CID 50999579) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine
PubChem CID50999579
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1CCCCOc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-11-10-14(16)17-18(11)8-2-3-9-19-13-6-4-12(15)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H2,16,17)
InChIKeyITSJKUMSCQVQQE-UHFFFAOYSA-N
XLogP2.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine
CID 51000041
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(4-fluorophenoxy)butyl]-2-methylguanidine;hydroiodide
CID 111280608
5-methyl-1-(6-methylheptyl)pyrazol-3-amine
CID 165483391
1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole
CID 82082756
(4-fluorophenyl) 1-[4-[2-(3-amino-5-methylpyrazol-1-yl)ethoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 67986134
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
CID 51000352
3-(4-fluorophenoxy)propyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 31431450
2-[3-(4-fluorophenoxy)propyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 38979112
5-methyl-1-[2-(4-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301522

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine (CID 50999579) is 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1CCCCOc1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine?
The InChIKey is ITSJKUMSCQVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11-10-14(16)17-18(11)8-2-3-9-19-13-6-4-12(15)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H2,16,17).
What are the key properties of 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine?
1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine has a molecular weight of 263.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 50999579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).