1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol

C13H11BrN2O2 — CID 114635081

IUPAC1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc2ccccc2o1
InChIInChI=1S/C13H11BrN2O2/c1-16-12(9(14)7-15-16)13(17)11-6-8-4-2-3-5-10(8)18-11/h2-7,13,17H,1H3
InChIKeyUKSBGEBRGXQBDF-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.01
Rot. Bonds2

About 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol

1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol (PubChem CID 114635081) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
PubChem CID114635081
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc2ccccc2o1
InChIInChI=1S/C13H11BrN2O2/c1-16-12(9(14)7-15-16)13(17)11-6-8-4-2-3-5-10(8)18-11/h2-7,13,17H,1H3
InChIKeyUKSBGEBRGXQBDF-UHFFFAOYSA-N
XLogP3.01
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651287
(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
CID 114634352
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
CID 63090768
(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114635082
1-(1-benzofuran-2-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651275
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105189738
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 114724178

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol (CID 114635081) is 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol is Cn1ncc(Br)c1C(O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol?
The InChIKey is UKSBGEBRGXQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-16-12(9(14)7-15-16)13(17)11-6-8-4-2-3-5-10(8)18-11/h2-7,13,17H,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol?
1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol has a molecular weight of 307.15 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 114635081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).