2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol

C18H14N4O3 — CID 58704661

IUPAC2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol
SMILESOc1ccccc1-n1ccc(Oc2ccn(-c3ccccc3O)n2)n1
InChIInChI=1S/C18H14N4O3/c23-15-7-3-1-5-13(15)21-11-9-17(19-21)25-18-10-12-22(20-18)14-6-2-4-8-16(14)24/h1-12,23-24H
InChIKeyJVKKLFWPDONEKU-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.26
Rot. Bonds4

About 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol

2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol (PubChem CID 58704661) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol
PubChem CID58704661
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol
SMILESOc1ccccc1-n1ccc(Oc2ccn(-c3ccccc3O)n2)n1
InChIInChI=1S/C18H14N4O3/c23-15-7-3-1-5-13(15)21-11-9-17(19-21)25-18-10-12-22(20-18)14-6-2-4-8-16(14)24/h1-12,23-24H
InChIKeyJVKKLFWPDONEKU-UHFFFAOYSA-N
XLogP3.26
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol?
The IUPAC name of 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol (CID 58704661) is 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol.
What is the SMILES notation for 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol?
The canonical SMILES for 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol is Oc1ccccc1-n1ccc(Oc2ccn(-c3ccccc3O)n2)n1.
What is the InChIKey of 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol?
The InChIKey is JVKKLFWPDONEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-15-7-3-1-5-13(15)21-11-9-17(19-21)25-18-10-12-22(20-18)14-6-2-4-8-16(14)24/h1-12,23-24H.
What are the key properties of 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol?
2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol has a molecular weight of 334.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-hydroxyphenyl)pyrazol-3-yl]oxypyrazol-1-yl]phenol is sourced from PubChem (CID 58704661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).