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

C15H15N3S — CID 62828575

IUPAC1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine
SMILESCc1ccc(-c2c(-c3ccsc3)nn(C)c2N)cc1
InChIInChI=1S/C15H15N3S/c1-10-3-5-11(6-4-10)13-14(12-7-8-19-9-12)17-18(2)15(13)16/h3-9H,16H2,1-2H3
InChIKeyXCNDMWOHPDEOBN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.71
Rot. Bonds2

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

1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 62828575) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine
PubChem CID62828575
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine
SMILESCc1ccc(-c2c(-c3ccsc3)nn(C)c2N)cc1
InChIInChI=1S/C15H15N3S/c1-10-3-5-11(6-4-10)13-14(12-7-8-19-9-12)17-18(2)15(13)16/h3-9H,16H2,1-2H3
InChIKeyXCNDMWOHPDEOBN-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine (CID 62828575) is 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine is Cc1ccc(-c2c(-c3ccsc3)nn(C)c2N)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is XCNDMWOHPDEOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-3-5-11(6-4-10)13-14(12-7-8-19-9-12)17-18(2)15(13)16/h3-9H,16H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine?
1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 62828575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).