4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol

C19H17BrN4O — CID 135524274

IUPAC4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol
SMILESCC(C)n1nc(-c2cc(-c3cc(Br)ccc3O)n[nH]2)c2ccccc21
InChIInChI=1S/C19H17BrN4O/c1-11(2)24-17-6-4-3-5-13(17)19(23-24)16-10-15(21-22-16)14-9-12(20)7-8-18(14)25/h3-11,25H,1-2H3,(H,21,22)
InChIKeyXJAZCAAZKJSNLV-UHFFFAOYSA-N
MW397.28 g/mol
LogP5.14
Rot. Bonds3

About 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol

4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol (PubChem CID 135524274) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol
PubChem CID135524274
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol
SMILESCC(C)n1nc(-c2cc(-c3cc(Br)ccc3O)n[nH]2)c2ccccc21
InChIInChI=1S/C19H17BrN4O/c1-11(2)24-17-6-4-3-5-13(17)19(23-24)16-10-15(21-22-16)14-9-12(20)7-8-18(14)25/h3-11,25H,1-2H3,(H,21,22)
InChIKeyXJAZCAAZKJSNLV-UHFFFAOYSA-N
XLogP5.14
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.28
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol (CID 135524274) is 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol is CC(C)n1nc(-c2cc(-c3cc(Br)ccc3O)n[nH]2)c2ccccc21.
What is the InChIKey of 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol?
The InChIKey is XJAZCAAZKJSNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-11(2)24-17-6-4-3-5-13(17)19(23-24)16-10-15(21-22-16)14-9-12(20)7-8-18(14)25/h3-11,25H,1-2H3,(H,21,22).
What are the key properties of 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol?
4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol has a molecular weight of 397.28 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-(1-propan-2-ylindazol-3-yl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135524274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).