1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol

C15H19BrN2O3 — CID 2927834

IUPAC1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)Cn2nc(C)c(Br)c2C)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-15(16)11(2)18(17-10)8-12(19)9-21-14-6-4-5-13(7-14)20-3/h4-7,12,19H,8-9H2,1-3H3
InChIKeyBGCDBVQLRVCQBJ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 2927834) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID2927834
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)Cn2nc(C)c(Br)c2C)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-15(16)11(2)18(17-10)8-12(19)9-21-14-6-4-5-13(7-14)20-3/h4-7,12,19H,8-9H2,1-3H3
InChIKeyBGCDBVQLRVCQBJ-UHFFFAOYSA-N
XLogP2.71
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol (CID 2927834) is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OCC(O)Cn2nc(C)c(Br)c2C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is BGCDBVQLRVCQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-15(16)11(2)18(17-10)8-12(19)9-21-14-6-4-5-13(7-14)20-3/h4-7,12,19H,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 355.23 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 2927834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).