(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol

C12H12Br2N2O — CID 114634896

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1ccccc1Br
InChIInChI=1S/C12H12Br2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-5-3-4-6-9(8)13/h3-7,12,17H,2H2,1H3
InChIKeyPPTJGZFWECGIHD-UHFFFAOYSA-N
MW360.05 g/mol
LogP3.51
Rot. Bonds3

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

(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol (PubChem CID 114634896) has the molecular formula C12H12Br2N2O and a molecular weight of 360.05 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
PubChem CID114634896
Molecular FormulaC12H12Br2N2O
Molecular Weight360.05 g/mol
Exact Mass357.93
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1ccccc1Br
InChIInChI=1S/C12H12Br2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-5-3-4-6-9(8)13/h3-7,12,17H,2H2,1H3
InChIKeyPPTJGZFWECGIHD-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114634907
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
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[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol
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(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
CID 105336163
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol (CID 114634896) is (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol is CCn1ncc(Br)c1C(O)c1ccccc1Br.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol?
The InChIKey is PPTJGZFWECGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-5-3-4-6-9(8)13/h3-7,12,17H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol has a molecular weight of 360.05 g/mol, XLogP of 3.51, 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-bromophenyl)methanol is sourced from PubChem (CID 114634896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).