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

C14H19FN4O — CID 66017490

IUPAC5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(Nc2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C14H19FN4O/c1-4-5-11-13(16)14(19(2)18-11)17-9-6-7-12(20-3)10(15)8-9/h6-8,17H,4-5,16H2,1-3H3
InChIKeyOHIDOOSUAZEWCC-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.85
Rot. Bonds5

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

5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017490) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66017490
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(Nc2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C14H19FN4O/c1-4-5-11-13(16)14(19(2)18-11)17-9-6-7-12(20-3)10(15)8-9/h6-8,17H,4-5,16H2,1-3H3
InChIKeyOHIDOOSUAZEWCC-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66017490) is 5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(Nc2ccc(OC)c(F)c2)c1N.
What is the InChIKey of 5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is OHIDOOSUAZEWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-4-5-11-13(16)14(19(2)18-11)17-9-6-7-12(20-3)10(15)8-9/h6-8,17H,4-5,16H2,1-3H3.
What are the key properties of 5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 278.33 g/mol, XLogP of 2.85, 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)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).