(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C13H14BrFN2O2 — CID 114634963

IUPAC(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2O2/c1-3-17-12(11(19-2)7-16-17)13(18)9-6-8(14)4-5-10(9)15/h4-7,13,18H,3H2,1-2H3
InChIKeyDANVEZREQJPUQS-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.89
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 114634963) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID114634963
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2O2/c1-3-17-12(11(19-2)7-16-17)13(18)9-6-8(14)4-5-10(9)15/h4-7,13,18H,3H2,1-2H3
InChIKeyDANVEZREQJPUQS-UHFFFAOYSA-N
XLogP2.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634965
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423
(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114212999
2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837028
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
1-(5-bromo-2-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048031
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 114634963) is (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is DANVEZREQJPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-3-17-12(11(19-2)7-16-17)13(18)9-6-8(14)4-5-10(9)15/h4-7,13,18H,3H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 329.17 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 114634963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).