3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine

C12H16BrN3S — CID 83217813

IUPAC3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H16BrN3S/c1-3-8(4-2)16-7-9(14)12(15-16)10-5-6-11(13)17-10/h5-8H,3-4,14H2,1-2H3
InChIKeyRMWYUSFNFKMBBE-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.32
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine

3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine (PubChem CID 83217813) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine
PubChem CID83217813
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC Name3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H16BrN3S/c1-3-8(4-2)16-7-9(14)12(15-16)10-5-6-11(13)17-10/h5-8H,3-4,14H2,1-2H3
InChIKeyRMWYUSFNFKMBBE-UHFFFAOYSA-N
XLogP4.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine (CID 83217813) is 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(-c2ccc(Br)s2)n1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is RMWYUSFNFKMBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-3-8(4-2)16-7-9(14)12(15-16)10-5-6-11(13)17-10/h5-8H,3-4,14H2,1-2H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine?
3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 314.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 83217813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).