1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol

C14H16Br2N2O — CID 114633501

IUPAC1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1ccccc1Br
InChIInChI=1S/C14H16Br2N2O/c1-3-8-18-13(12(16)9-17-18)14(2,19)10-6-4-5-7-11(10)15/h4-7,9,19H,3,8H2,1-2H3
InChIKeyMJOBINOGMIAVTA-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol

1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol (PubChem CID 114633501) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
PubChem CID114633501
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1ccccc1Br
InChIInChI=1S/C14H16Br2N2O/c1-3-8-18-13(12(16)9-17-18)14(2,19)10-6-4-5-7-11(10)15/h4-7,9,19H,3,8H2,1-2H3
InChIKeyMJOBINOGMIAVTA-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114637925
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 114633531
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638555
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
CID 114794969
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
CID 114633471
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol
CID 114633798

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol (CID 114633501) is 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol is CCCn1ncc(Br)c1C(C)(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
The InChIKey is MJOBINOGMIAVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-3-8-18-13(12(16)9-17-18)14(2,19)10-6-4-5-7-11(10)15/h4-7,9,19H,3,8H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol has a molecular weight of 388.10 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114633501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).