N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

C12H15F2N3S — CID 122165851

IUPACN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCCn1nc(C)c(CNCc2ccc(F)s2)c1F
InChIInChI=1S/C12H15F2N3S/c1-3-17-12(14)10(8(2)16-17)7-15-6-9-4-5-11(13)18-9/h4-5,15H,3,6-7H2,1-2H3
InChIKeyZSPIACOYOFJTKM-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.84
Rot. Bonds5

About N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine

N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (PubChem CID 122165851) has the molecular formula C12H15F2N3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
PubChem CID122165851
Molecular FormulaC12H15F2N3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine
SMILESCCn1nc(C)c(CNCc2ccc(F)s2)c1F
InChIInChI=1S/C12H15F2N3S/c1-3-17-12(14)10(8(2)16-17)7-15-6-9-4-5-11(13)18-9/h4-5,15H,3,6-7H2,1-2H3
InChIKeyZSPIACOYOFJTKM-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-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 N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The IUPAC name of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine (CID 122165851) is N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is CCn1nc(C)c(CNCc2ccc(F)s2)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
The InChIKey is ZSPIACOYOFJTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3S/c1-3-17-12(14)10(8(2)16-17)7-15-6-9-4-5-11(13)18-9/h4-5,15H,3,6-7H2,1-2H3.
What are the key properties of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine?
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine has a molecular weight of 271.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(5-fluorothiophen-2-yl)methanamine is sourced from PubChem (CID 122165851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).