4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol

C15H19BrN2O2 — CID 83075949

IUPAC4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol
SMILESCCn1nc(C)c(Br)c1CC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C15H19BrN2O2/c1-4-18-13(14(16)10(2)17-18)9-15(3,20)11-5-7-12(19)8-6-11/h5-8,19-20H,4,9H2,1-3H3
InChIKeyZXWCHVUBXGHPNJ-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.13
Rot. Bonds4

About 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol

4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol (PubChem CID 83075949) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol
PubChem CID83075949
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol
SMILESCCn1nc(C)c(Br)c1CC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C15H19BrN2O2/c1-4-18-13(14(16)10(2)17-18)9-15(3,20)11-5-7-12(19)8-6-11/h5-8,19-20H,4,9H2,1-3H3
InChIKeyZXWCHVUBXGHPNJ-UHFFFAOYSA-N
XLogP3.13
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol?
The IUPAC name of 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol (CID 83075949) is 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol?
The canonical SMILES for 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol is CCn1nc(C)c(Br)c1CC(C)(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol?
The InChIKey is ZXWCHVUBXGHPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-18-13(14(16)10(2)17-18)9-15(3,20)11-5-7-12(19)8-6-11/h5-8,19-20H,4,9H2,1-3H3.
What are the key properties of 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol?
4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol has a molecular weight of 339.23 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 83075949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).