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

C15H15N3OS — CID 43158660

IUPAC4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccsc3)nn(C)c2N)cc1
InChIInChI=1S/C15H15N3OS/c1-18-15(16)13(10-3-5-12(19-2)6-4-10)14(17-18)11-7-8-20-9-11/h3-9H,16H2,1-2H3
InChIKeyMXENESLGBHCEBE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.41
Rot. Bonds3

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

4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 43158660) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
PubChem CID43158660
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccsc3)nn(C)c2N)cc1
InChIInChI=1S/C15H15N3OS/c1-18-15(16)13(10-3-5-12(19-2)6-4-10)14(17-18)11-7-8-20-9-11/h3-9H,16H2,1-2H3
InChIKeyMXENESLGBHCEBE-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine (CID 43158660) is 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine is COc1ccc(-c2c(-c3ccsc3)nn(C)c2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is MXENESLGBHCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18-15(16)13(10-3-5-12(19-2)6-4-10)14(17-18)11-7-8-20-9-11/h3-9H,16H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 285.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 43158660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).