1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C14H19BrN2OS — CID 64783678

IUPAC1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccc(Br)s2)n1
InChIInChI=1S/C14H19BrN2OS/c1-3-11(4-2)17-8-7-10(16-17)9-12(18)13-5-6-14(15)19-13/h5-8,11-12,18H,3-4,9H2,1-2H3
InChIKeyIZZLKQUNMUEUAJ-UHFFFAOYSA-N
MW343.29 g/mol
LogP4.34
Rot. Bonds6

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

1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 64783678) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID64783678
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccc(Br)s2)n1
InChIInChI=1S/C14H19BrN2OS/c1-3-11(4-2)17-8-7-10(16-17)9-12(18)13-5-6-14(15)19-13/h5-8,11-12,18H,3-4,9H2,1-2H3
InChIKeyIZZLKQUNMUEUAJ-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 64783678) is 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)c2ccc(Br)s2)n1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is IZZLKQUNMUEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-3-11(4-2)17-8-7-10(16-17)9-12(18)13-5-6-14(15)19-13/h5-8,11-12,18H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 343.29 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64783678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).