5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine

C13H16FN3O — CID 66028842

IUPAC5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cccc(F)c1
InChIInChI=1S/C13H16FN3O/c1-3-7-17-13(12(15)9(2)16-17)18-11-6-4-5-10(14)8-11/h4-6,8H,3,7,15H2,1-2H3
InChIKeyNRNMXBDUAQSBJW-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.12
Rot. Bonds4

About 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine

5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine (PubChem CID 66028842) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
PubChem CID66028842
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cccc(F)c1
InChIInChI=1S/C13H16FN3O/c1-3-7-17-13(12(15)9(2)16-17)18-11-6-4-5-10(14)8-11/h4-6,8H,3,7,15H2,1-2H3
InChIKeyNRNMXBDUAQSBJW-UHFFFAOYSA-N
XLogP3.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine (CID 66028842) is 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1Oc1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is NRNMXBDUAQSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-7-17-13(12(15)9(2)16-17)18-11-6-4-5-10(14)8-11/h4-6,8H,3,7,15H2,1-2H3.
What are the key properties of 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 249.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 66028842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).