1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

C10H10BrClN2OS — CID 102830087

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C10H10BrClN2OS/c1-14-3-2-6(13-14)4-8(15)9-5-7(11)10(12)16-9/h2-3,5,8,15H,4H2,1H3
InChIKeySIKONGSSXFPQOB-UHFFFAOYSA-N
MW321.63 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 102830087) has the molecular formula C10H10BrClN2OS and a molecular weight of 321.63 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID102830087
Molecular FormulaC10H10BrClN2OS
Molecular Weight321.63 g/mol
Exact Mass319.94
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C10H10BrClN2OS/c1-14-3-2-6(13-14)4-8(15)9-5-7(11)10(12)16-9/h2-3,5,8,15H,4H2,1H3
InChIKeySIKONGSSXFPQOB-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(3-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 115381011
(5-Bromothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 49962850
(5-Chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 63960723
(5-Bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 63974619
(5-Chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 63976750
(5-Chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63976751
(4-Bromothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 64306959
(4-Bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 64307172
1-(5-Bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770983
2-(1-Propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol
CID 64772057

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 102830087) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)c2cc(Br)c(Cl)s2)n1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is SIKONGSSXFPQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2OS/c1-14-3-2-6(13-14)4-8(15)9-5-7(11)10(12)16-9/h2-3,5,8,15H,4H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 321.63 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 102830087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).