1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol

C15H19BrN2O2 — CID 103465737

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1c(Br)c(C)nn1C)c1ccccc1
InChIInChI=1S/C15H19BrN2O2/c1-11-14(16)13(18(2)17-11)9-15(19,10-20-3)12-7-5-4-6-8-12/h4-8,19H,9-10H2,1-3H3
InChIKeyBYMYTMWZRMIVID-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.57
Rot. Bonds5

About 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103465737) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103465737
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1c(Br)c(C)nn1C)c1ccccc1
InChIInChI=1S/C15H19BrN2O2/c1-11-14(16)13(18(2)17-11)9-15(19,10-20-3)12-7-5-4-6-8-12/h4-8,19H,9-10H2,1-3H3
InChIKeyBYMYTMWZRMIVID-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol (CID 103465737) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol is COCC(O)(Cc1c(Br)c(C)nn1C)c1ccccc1.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is BYMYTMWZRMIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-11-14(16)13(18(2)17-11)9-15(19,10-20-3)12-7-5-4-6-8-12/h4-8,19H,9-10H2,1-3H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 339.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103465737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).