3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine

C11H14BrN3S — CID 79990711

IUPAC3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(C)c(Br)s2)nn(C)c1N
InChIInChI=1S/C11H14BrN3S/c1-4-7-9(14-15(3)11(7)13)8-5-6(2)10(12)16-8/h5H,4,13H2,1-3H3
InChIKeyNIIHCQJNMMPRPT-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.36
Rot. Bonds2

About 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine

3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine (PubChem CID 79990711) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
PubChem CID79990711
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(C)c(Br)s2)nn(C)c1N
InChIInChI=1S/C11H14BrN3S/c1-4-7-9(14-15(3)11(7)13)8-5-6(2)10(12)16-8/h5H,4,13H2,1-3H3
InChIKeyNIIHCQJNMMPRPT-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.36
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)-4-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine (CID 79990711) is 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine is CCc1c(-c2cc(C)c(Br)s2)nn(C)c1N.
What is the InChIKey of 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine?
The InChIKey is NIIHCQJNMMPRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-4-7-9(14-15(3)11(7)13)8-5-6(2)10(12)16-8/h5H,4,13H2,1-3H3.
What are the key properties of 3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine?
3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine has a molecular weight of 300.23 g/mol, XLogP of 3.36, 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)-4-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 79990711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).