3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine

C15H14IN3S — CID 79693790

IUPAC3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1c(-c2csc(I)c2)nn(C)c1N
InChIInChI=1S/C15H14IN3S/c1-9-5-3-4-6-11(9)13-14(18-19(2)15(13)17)10-7-12(16)20-8-10/h3-8H,17H2,1-2H3
InChIKeyVZBMWRUSJYCIEO-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.31
Rot. Bonds2

About 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine

3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine (PubChem CID 79693790) has the molecular formula C15H14IN3S and a molecular weight of 395.27 g/mol. Its IUPAC name is 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
PubChem CID79693790
Molecular FormulaC15H14IN3S
Molecular Weight395.27 g/mol
Exact Mass395.00
IUPAC Name3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1c(-c2csc(I)c2)nn(C)c1N
InChIInChI=1S/C15H14IN3S/c1-9-5-3-4-6-11(9)13-14(18-19(2)15(13)17)10-7-12(16)20-8-10/h3-8H,17H2,1-2H3
InChIKeyVZBMWRUSJYCIEO-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine (CID 79693790) is 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine is Cc1ccccc1-c1c(-c2csc(I)c2)nn(C)c1N.
What is the InChIKey of 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine?
The InChIKey is VZBMWRUSJYCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3S/c1-9-5-3-4-6-11(9)13-14(18-19(2)15(13)17)10-7-12(16)20-8-10/h3-8H,17H2,1-2H3.
What are the key properties of 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine?
3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine has a molecular weight of 395.27 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 79693790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).