3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

C15H14FN3OS — CID 81288669

IUPAC3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1cc(-c2nn(C)c(N)c2-c2cccs2)ccc1F
InChIInChI=1S/C15H14FN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)9-5-6-10(16)11(8-9)20-2/h3-8H,17H2,1-2H3
InChIKeyDMJRACAPTJFCMO-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.55
Rot. Bonds3

About 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 81288669) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID81288669
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1cc(-c2nn(C)c(N)c2-c2cccs2)ccc1F
InChIInChI=1S/C15H14FN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)9-5-6-10(16)11(8-9)20-2/h3-8H,17H2,1-2H3
InChIKeyDMJRACAPTJFCMO-UHFFFAOYSA-N
XLogP3.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine 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 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 81288669) is 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is COc1cc(-c2nn(C)c(N)c2-c2cccs2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is DMJRACAPTJFCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)9-5-6-10(16)11(8-9)20-2/h3-8H,17H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 303.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 81288669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).