5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine

C14H18FN3O — CID 107168557

IUPAC5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2ccc(C)c(F)c2)c1N
InChIInChI=1S/C14H18FN3O/c1-4-5-12-13(16)14(18(3)17-12)19-10-7-6-9(2)11(15)8-10/h6-8H,4-5,16H2,1-3H3
InChIKeyDFIIEEAQSQMSQX-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.19
Rot. Bonds4

About 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine

5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 107168557) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine
PubChem CID107168557
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2ccc(C)c(F)c2)c1N
InChIInChI=1S/C14H18FN3O/c1-4-5-12-13(16)14(18(3)17-12)19-10-7-6-9(2)11(15)8-10/h6-8H,4-5,16H2,1-3H3
InChIKeyDFIIEEAQSQMSQX-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine (CID 107168557) is 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(Oc2ccc(C)c(F)c2)c1N.
What is the InChIKey of 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is DFIIEEAQSQMSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-5-12-13(16)14(18(3)17-12)19-10-7-6-9(2)11(15)8-10/h6-8H,4-5,16H2,1-3H3.
What are the key properties of 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine?
5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 263.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 107168557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).