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

C15H14FN3OS — CID 62920734

IUPAC3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1ccc(-c2nn(C)c(N)c2-c2cccs2)cc1F
InChIInChI=1S/C15H14FN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)9-5-6-11(20-2)10(16)8-9/h3-8H,17H2,1-2H3
InChIKeySJDZYLNREGNXNL-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.55
Rot. Bonds3

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

3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 62920734) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID62920734
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1ccc(-c2nn(C)c(N)c2-c2cccs2)cc1F
InChIInChI=1S/C15H14FN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)9-5-6-11(20-2)10(16)8-9/h3-8H,17H2,1-2H3
InChIKeySJDZYLNREGNXNL-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 62920734) is 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is COc1ccc(-c2nn(C)c(N)c2-c2cccs2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is SJDZYLNREGNXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-19-15(17)13(12-4-3-7-21-12)14(18-19)9-5-6-11(20-2)10(16)8-9/h3-8H,17H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 62920734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).