3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine

C15H14BrN3S — CID 79990533

IUPAC3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccccc2)sc1Br
InChIInChI=1S/C15H14BrN3S/c1-9-8-11(20-14(9)16)13-12(15(17)19(2)18-13)10-6-4-3-5-7-10/h3-8H,17H2,1-2H3
InChIKeyFNNHGOXZWQCIOB-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.47
Rot. Bonds2

About 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine

3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine (PubChem CID 79990533) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
PubChem CID79990533
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccccc2)sc1Br
InChIInChI=1S/C15H14BrN3S/c1-9-8-11(20-14(9)16)13-12(15(17)19(2)18-13)10-6-4-3-5-7-10/h3-8H,17H2,1-2H3
InChIKeyFNNHGOXZWQCIOB-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine (CID 79990533) is 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine is Cc1cc(-c2nn(C)c(N)c2-c2ccccc2)sc1Br.
What is the InChIKey of 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine?
The InChIKey is FNNHGOXZWQCIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-9-8-11(20-14(9)16)13-12(15(17)19(2)18-13)10-6-4-3-5-7-10/h3-8H,17H2,1-2H3.
What are the key properties of 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine?
3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine has a molecular weight of 348.27 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 79990533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).