(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol

C12H11Br3N2O — CID 115834800

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H11Br3N2O/c1-2-17-11(10(15)6-16-17)12(18)8-5-7(13)3-4-9(8)14/h3-6,12,18H,2H2,1H3
InChIKeyRQIOKRRYPVYUIP-UHFFFAOYSA-N
MW438.95 g/mol
LogP4.27
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol (PubChem CID 115834800) has the molecular formula C12H11Br3N2O and a molecular weight of 438.95 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
PubChem CID115834800
Molecular FormulaC12H11Br3N2O
Molecular Weight438.95 g/mol
Exact Mass435.84
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H11Br3N2O/c1-2-17-11(10(15)6-16-17)12(18)8-5-7(13)3-4-9(8)14/h3-6,12,18H,2H2,1H3
InChIKeyRQIOKRRYPVYUIP-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.95
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 114638567

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol (CID 115834800) is (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol is CCn1ncc(Br)c1C(O)c1cc(Br)ccc1Br.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol?
The InChIKey is RQIOKRRYPVYUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br3N2O/c1-2-17-11(10(15)6-16-17)12(18)8-5-7(13)3-4-9(8)14/h3-6,12,18H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol has a molecular weight of 438.95 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol is sourced from PubChem (CID 115834800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).