(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol

C11H13BrN2O2 — CID 114638472

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
SMILESCCn1ncc(Br)c1C(O)c1occc1C
InChIInChI=1S/C11H13BrN2O2/c1-3-14-9(8(12)6-13-14)10(15)11-7(2)4-5-16-11/h4-6,10,15H,3H2,1-2H3
InChIKeyLYSQQZWEUYJZGJ-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.65
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol (PubChem CID 114638472) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
PubChem CID114638472
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
SMILESCCn1ncc(Br)c1C(O)c1occc1C
InChIInChI=1S/C11H13BrN2O2/c1-3-14-9(8(12)6-13-14)10(15)11-7(2)4-5-16-11/h4-6,10,15H,3H2,1-2H3
InChIKeyLYSQQZWEUYJZGJ-UHFFFAOYSA-N
XLogP2.65
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638477
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660779
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol (CID 114638472) is (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol is CCn1ncc(Br)c1C(O)c1occc1C.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
The InChIKey is LYSQQZWEUYJZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-3-14-9(8(12)6-13-14)10(15)11-7(2)4-5-16-11/h4-6,10,15H,3H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol has a molecular weight of 285.14 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 114638472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).