[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol

C15H17BrN2O3 — CID 114645306

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)C1Cc2ccccc2O1
InChIInChI=1S/C15H17BrN2O3/c1-20-7-6-18-14(11(16)9-17-18)15(19)13-8-10-4-2-3-5-12(10)21-13/h2-5,9,13,15,19H,6-8H2,1H3
InChIKeyUJAHSBGYEWHTAL-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.33
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol (PubChem CID 114645306) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol
PubChem CID114645306
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESCOCCn1ncc(Br)c1C(O)C1Cc2ccccc2O1
InChIInChI=1S/C15H17BrN2O3/c1-20-7-6-18-14(11(16)9-17-18)15(19)13-8-10-4-2-3-5-12(10)21-13/h2-5,9,13,15,19H,6-8H2,1H3
InChIKeyUJAHSBGYEWHTAL-UHFFFAOYSA-N
XLogP2.33
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methanol
CID 115835854
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
CID 114637094
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645296
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 114660003
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycycloheptyl)methanol
CID 114645923
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114640827
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol
CID 114638223
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 114644108
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
CID 105128554
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
CID 115835756

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol (CID 114645306) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol is COCCn1ncc(Br)c1C(O)C1Cc2ccccc2O1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol?
The InChIKey is UJAHSBGYEWHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-20-7-6-18-14(11(16)9-17-18)15(19)13-8-10-4-2-3-5-12(10)21-13/h2-5,9,13,15,19H,6-8H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol has a molecular weight of 353.22 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114645306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).