1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol

C12H14BrClN2O2 — CID 106886384

IUPAC1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2occc2Br)c1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-3-8-11(14)9(16(2)15-8)6-10(17)12-7(13)4-5-18-12/h4-5,10,17H,3,6H2,1-2H3
InChIKeyOXQCKUGNFQMVLL-UHFFFAOYSA-N
MW333.61 g/mol
LogP3.27
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol

1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 106886384) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID106886384
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2occc2Br)c1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-3-8-11(14)9(16(2)15-8)6-10(17)12-7(13)4-5-18-12/h4-5,10,17H,3,6H2,1-2H3
InChIKeyOXQCKUGNFQMVLL-UHFFFAOYSA-N
XLogP3.27
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 106857947
1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106886253
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105107301
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348112
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789867
1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546
5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 79455108
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105316860
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 81299680
1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol
CID 106886306
4-chloro-5-[2-(chloromethyl)-3,3-dimethylbutyl]-3-ethyl-1-methylpyrazole
CID 83143178

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 106886384) is 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1nn(C)c(CC(O)c2occc2Br)c1Cl.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is OXQCKUGNFQMVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-3-8-11(14)9(16(2)15-8)6-10(17)12-7(13)4-5-18-12/h4-5,10,17H,3,6H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 333.61 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 106886384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).