(1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol

C14H20N2O3 — CID 115837076

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1c(C)oc(C)c1C
InChIInChI=1S/C14H20N2O3/c1-6-16-13(11(18-5)7-15-16)14(17)12-8(2)9(3)19-10(12)4/h7,14,17H,6H2,1-5H3
InChIKeyBGENHJLOILHZCK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol

(1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 115837076) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID115837076
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1c(C)oc(C)c1C
InChIInChI=1S/C14H20N2O3/c1-6-16-13(11(18-5)7-15-16)14(17)12-8(2)9(3)19-10(12)4/h7,14,17H,6H2,1-5H3
InChIKeyBGENHJLOILHZCK-UHFFFAOYSA-N
XLogP2.51
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
(1-ethyl-4-methoxypyrazol-5-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 114635048
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
2-(3,5-dimethylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114643392
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 115837076) is (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol is CCn1ncc(OC)c1C(O)c1c(C)oc(C)c1C.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is BGENHJLOILHZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-6-16-13(11(18-5)7-15-16)14(17)12-8(2)9(3)19-10(12)4/h7,14,17H,6H2,1-5H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 264.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 115837076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).