5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine

C13H16FN3S — CID 66019510

IUPAC5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Sc2ccccc2F)c1N
InChIInChI=1S/C13H16FN3S/c1-3-6-10-12(15)13(17(2)16-10)18-11-8-5-4-7-9(11)14/h4-5,7-8H,3,6,15H2,1-2H3
InChIKeySAVOPUVPEMOCJS-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.25
Rot. Bonds4

About 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine

5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66019510) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine
PubChem CID66019510
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Sc2ccccc2F)c1N
InChIInChI=1S/C13H16FN3S/c1-3-6-10-12(15)13(17(2)16-10)18-11-8-5-4-7-9(11)14/h4-5,7-8H,3,6,15H2,1-2H3
InChIKeySAVOPUVPEMOCJS-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine (CID 66019510) is 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(Sc2ccccc2F)c1N.
What is the InChIKey of 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is SAVOPUVPEMOCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-3-6-10-12(15)13(17(2)16-10)18-11-8-5-4-7-9(11)14/h4-5,7-8H,3,6,15H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine?
5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66019510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).