5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

C14H19FN4O — CID 66029162

IUPAC5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(OC)c(F)c1
InChIInChI=1S/C14H19FN4O/c1-4-7-19-14(13(16)9(2)18-19)17-10-5-6-12(20-3)11(15)8-10/h5-6,8,17H,4,7,16H2,1-3H3
InChIKeyVQMYHLXGZDCRAS-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.08
Rot. Bonds5

About 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66029162) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66029162
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(OC)c(F)c1
InChIInChI=1S/C14H19FN4O/c1-4-7-19-14(13(16)9(2)18-19)17-10-5-6-12(20-3)11(15)8-10/h5-6,8,17H,4,7,16H2,1-3H3
InChIKeyVQMYHLXGZDCRAS-UHFFFAOYSA-N
XLogP3.08
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 66029162) is 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1ccc(OC)c(F)c1.
What is the InChIKey of 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is VQMYHLXGZDCRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-4-7-19-14(13(16)9(2)18-19)17-10-5-6-12(20-3)11(15)8-10/h5-6,8,17H,4,7,16H2,1-3H3.
What are the key properties of 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 278.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-4-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).