1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine

C15H15N3OS — CID 83217324

IUPAC1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCOc1ccccc1-n1cc(N)c(-c2sccc2C)n1
InChIInChI=1S/C15H15N3OS/c1-10-7-8-20-15(10)14-11(16)9-18(17-14)12-5-3-4-6-13(12)19-2/h3-9H,16H2,1-2H3
InChIKeyBVANYPZGWMBXBJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine

1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83217324) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83217324
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCOc1ccccc1-n1cc(N)c(-c2sccc2C)n1
InChIInChI=1S/C15H15N3OS/c1-10-7-8-20-15(10)14-11(16)9-18(17-14)12-5-3-4-6-13(12)19-2/h3-9H,16H2,1-2H3
InChIKeyBVANYPZGWMBXBJ-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (CID 83217324) is 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is COc1ccccc1-n1cc(N)c(-c2sccc2C)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is BVANYPZGWMBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-7-8-20-15(10)14-11(16)9-18(17-14)12-5-3-4-6-13(12)19-2/h3-9H,16H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83217324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).