(4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol

C9H8Br2N2O2 — CID 103130127

IUPAC(4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc(Br)c(Br)o2)n1
InChIInChI=1S/C9H8Br2N2O2/c1-13-3-2-6(12-13)8(14)7-4-5(10)9(11)15-7/h2-4,8,14H,1H3
InChIKeyASRLKZHEEVEIMF-UHFFFAOYSA-N
MW335.98 g/mol
LogP2.62
Rot. Bonds2

About (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol

(4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103130127) has the molecular formula C9H8Br2N2O2 and a molecular weight of 335.98 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103130127
Molecular FormulaC9H8Br2N2O2
Molecular Weight335.98 g/mol
Exact Mass333.90
IUPAC Name(4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc(Br)c(Br)o2)n1
InChIInChI=1S/C9H8Br2N2O2/c1-13-3-2-6(12-13)8(14)7-4-5(10)9(11)15-7/h2-4,8,14H,1H3
InChIKeyASRLKZHEEVEIMF-UHFFFAOYSA-N
XLogP2.62
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.98
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 103138624
2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 82595674
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997
(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 103138629
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 106859629
(1-methylpyrazol-3-yl)-(thiadiazol-4-yl)methanol
CID 103138794
(1-methylpyrazol-3-yl)-(5-methyl-2-pyridinyl)methanol
CID 103130257
(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 103130254
(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63893672
(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol
CID 63893868
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol (CID 103130127) is (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2cc(Br)c(Br)o2)n1.
What is the InChIKey of (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is ASRLKZHEEVEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2O2/c1-13-3-2-6(12-13)8(14)7-4-5(10)9(11)15-7/h2-4,8,14H,1H3.
What are the key properties of (4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol?
(4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 335.98 g/mol, XLogP of 2.62, 2 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-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103130127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).