1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

C12H17BrN4S — CID 75469039

IUPAC1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCc1cnc(C(C)NC(C)Cn2cc(Br)cn2)s1
InChIInChI=1S/C12H17BrN4S/c1-8(6-17-7-11(13)5-15-17)16-10(3)12-14-4-9(2)18-12/h4-5,7-8,10,16H,6H2,1-3H3
InChIKeyWZJOBMLUJORYBB-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 75469039) has the molecular formula C12H17BrN4S and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID75469039
Molecular FormulaC12H17BrN4S
Molecular Weight329.27 g/mol
Exact Mass328.04
IUPAC Name1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCc1cnc(C(C)NC(C)Cn2cc(Br)cn2)s1
InChIInChI=1S/C12H17BrN4S/c1-8(6-17-7-11(13)5-15-17)16-10(3)12-14-4-9(2)18-12/h4-5,7-8,10,16H,6H2,1-3H3
InChIKeyWZJOBMLUJORYBB-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 75469039) is 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is Cc1cnc(C(C)NC(C)Cn2cc(Br)cn2)s1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is WZJOBMLUJORYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S/c1-8(6-17-7-11(13)5-15-17)16-10(3)12-14-4-9(2)18-12/h4-5,7-8,10,16H,6H2,1-3H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 329.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 75469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).