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

C13H12N2O2 — CID 63090768

IUPAC1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C13H12N2O2/c1-15-8-10(7-14-15)13(16)12-6-9-4-2-3-5-11(9)17-12/h2-8,13,16H,1H3
InChIKeyMACGESQHFAYKAM-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.25
Rot. Bonds2

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

1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol (PubChem CID 63090768) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
PubChem CID63090768
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C13H12N2O2/c1-15-8-10(7-14-15)13(16)12-6-9-4-2-3-5-11(9)17-12/h2-8,13,16H,1H3
InChIKeyMACGESQHFAYKAM-UHFFFAOYSA-N
XLogP2.25
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 114635081
1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 114723692
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231371
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
CID 105128806
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
1-benzofuran-2-yl(imidazo[1,2-a]pyridin-2-yl)methanol
CID 114724050
1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol
CID 66458862
1-benzofuran-2-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
CID 103129234
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
(4-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113277074
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol (CID 63090768) is 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cc3ccccc3o2)cn1.
What is the InChIKey of 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol?
The InChIKey is MACGESQHFAYKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-8-10(7-14-15)13(16)12-6-9-4-2-3-5-11(9)17-12/h2-8,13,16H,1H3.
What are the key properties of 1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol?
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol has a molecular weight of 228.25 g/mol, XLogP of 2.25, 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-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 63090768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).