(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

C15H19BrN2O3 — CID 103524545

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2ccc(OC)c(Br)c2OC)n(C)n1
InChIInChI=1S/C15H19BrN2O3/c1-5-9-8-11(18(2)17-9)14(19)10-6-7-12(20-3)13(16)15(10)21-4/h6-8,14,19H,5H2,1-4H3
InChIKeyIERPLYTUFOLNNA-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.84
Rot. Bonds5

About (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (PubChem CID 103524545) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
PubChem CID103524545
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2ccc(OC)c(Br)c2OC)n(C)n1
InChIInChI=1S/C15H19BrN2O3/c1-5-9-8-11(18(2)17-9)14(19)10-6-7-12(20-3)13(16)15(10)21-4/h6-8,14,19H,5H2,1-4H3
InChIKeyIERPLYTUFOLNNA-UHFFFAOYSA-N
XLogP2.84
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105095860
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 106765132
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
CID 103523206
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
CID 107978790
(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176507
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (CID 103524545) is (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is CCc1cc(C(O)c2ccc(OC)c(Br)c2OC)n(C)n1.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The InChIKey is IERPLYTUFOLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-5-9-8-11(18(2)17-9)14(19)10-6-7-12(20-3)13(16)15(10)21-4/h6-8,14,19H,5H2,1-4H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol has a molecular weight of 355.23 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 103524545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).