[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine

C12H13F2N3S — CID 63757028

IUPAC[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(Sc2ccc(F)cc2F)c1CN
InChIInChI=1S/C12H13F2N3S/c1-7-9(6-15)12(17(2)16-7)18-11-4-3-8(13)5-10(11)14/h3-5H,6,15H2,1-2H3
InChIKeyMDPLGLLHMTZIJE-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.62
Rot. Bonds3

About [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine

[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 63757028) has the molecular formula C12H13F2N3S and a molecular weight of 269.32 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID63757028
Molecular FormulaC12H13F2N3S
Molecular Weight269.32 g/mol
Exact Mass269.08
IUPAC Name[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(Sc2ccc(F)cc2F)c1CN
InChIInChI=1S/C12H13F2N3S/c1-7-9(6-15)12(17(2)16-7)18-11-4-3-8(13)5-10(11)14/h3-5H,6,15H2,1-2H3
InChIKeyMDPLGLLHMTZIJE-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine (CID 63757028) is [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine is Cc1nn(C)c(Sc2ccc(F)cc2F)c1CN.
What is the InChIKey of [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is MDPLGLLHMTZIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S/c1-7-9(6-15)12(17(2)16-7)18-11-4-3-8(13)5-10(11)14/h3-5H,6,15H2,1-2H3.
What are the key properties of [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 269.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 63757028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).