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

C14H15Br2ClN2O — CID 114637925

IUPAC1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15Br2ClN2O/c1-3-6-19-13(11(16)8-18-19)14(2,20)10-5-4-9(15)7-12(10)17/h4-5,7-8,20H,3,6H2,1-2H3
InChIKeyXRQXVOIIJZCNQR-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.73
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol (PubChem CID 114637925) has the molecular formula C14H15Br2ClN2O and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
PubChem CID114637925
Molecular FormulaC14H15Br2ClN2O
Molecular Weight422.55 g/mol
Exact Mass419.92
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15Br2ClN2O/c1-3-6-19-13(11(16)8-18-19)14(2,20)10-5-4-9(15)7-12(10)17/h4-5,7-8,20H,3,6H2,1-2H3
InChIKeyXRQXVOIIJZCNQR-UHFFFAOYSA-N
XLogP4.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-(4-bromo-2-chlorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 82779360
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol
CID 106461375
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
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-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
CID 114633471
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol (CID 114637925) is 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol is CCCn1ncc(Br)c1C(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
The InChIKey is XRQXVOIIJZCNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2ClN2O/c1-3-6-19-13(11(16)8-18-19)14(2,20)10-5-4-9(15)7-12(10)17/h4-5,7-8,20H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol?
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol has a molecular weight of 422.55 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114637925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).