(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol

C10H10Br2N2O2 — CID 63893672

IUPAC(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(Br)c(Br)o2)cn1
InChIInChI=1S/C10H10Br2N2O2/c1-2-14-5-6(4-13-14)9(15)8-3-7(11)10(12)16-8/h3-5,9,15H,2H2,1H3
InChIKeyWJKBVNTUPPFSHP-UHFFFAOYSA-N
MW350.01 g/mol
LogP3.10
Rot. Bonds3

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

(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 63893672) has the molecular formula C10H10Br2N2O2 and a molecular weight of 350.01 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID63893672
Molecular FormulaC10H10Br2N2O2
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(Br)c(Br)o2)cn1
InChIInChI=1S/C10H10Br2N2O2/c1-2-14-5-6(4-13-14)9(15)8-3-7(11)10(12)16-8/h3-5,9,15H,2H2,1H3
InChIKeyWJKBVNTUPPFSHP-UHFFFAOYSA-N
XLogP3.10
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dibromofuran-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63975471
(5-chlorofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 106693588
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969580
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984
[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719159
(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
CID 164718784
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
(1-ethylpyrazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895454
(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63901362

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol (CID 63893672) is (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(Br)c(Br)o2)cn1.
What is the InChIKey of (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is WJKBVNTUPPFSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O2/c1-2-14-5-6(4-13-14)9(15)8-3-7(11)10(12)16-8/h3-5,9,15H,2H2,1H3.
What are the key properties of (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol?
(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 350.01 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 63893672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).