(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol

C16H18N2O2 — CID 105129301

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCCc1cc(C(O)c2cc3cccc(C)c3o2)n(C)n1
InChIInChI=1S/C16H18N2O2/c1-4-12-9-13(18(3)17-12)15(19)14-8-11-7-5-6-10(2)16(11)20-14/h5-9,15,19H,4H2,1-3H3
InChIKeyIJOFAOQNDDRTRL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.12
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol

(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 105129301) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID105129301
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCCc1cc(C(O)c2cc3cccc(C)c3o2)n(C)n1
InChIInChI=1S/C16H18N2O2/c1-4-12-9-13(18(3)17-12)15(19)14-8-11-7-5-6-10(2)16(11)20-14/h5-9,15,19H,4H2,1-3H3
InChIKeyIJOFAOQNDDRTRL-UHFFFAOYSA-N
XLogP3.12
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727223
(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724166
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 105109320

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 105129301) is (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol is CCc1cc(C(O)c2cc3cccc(C)c3o2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is IJOFAOQNDDRTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-12-9-13(18(3)17-12)15(19)14-8-11-7-5-6-10(2)16(11)20-14/h5-9,15,19H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 270.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 105129301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).