3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol

C12H14N2O3 — CID 117124853

IUPAC3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol
SMILESCC(O)Cn1cc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H14N2O3/c1-9(15)7-14-8-12(6-13-14)17-11-4-2-3-10(16)5-11/h2-6,8-9,15-16H,7H2,1H3
InChIKeyCAGYUQPZNYSKLD-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.76
Rot. Bonds4

About 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol

3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol (PubChem CID 117124853) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol.

Molecular Properties

Compound Name3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol
PubChem CID117124853
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol
SMILESCC(O)Cn1cc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H14N2O3/c1-9(15)7-14-8-12(6-13-14)17-11-4-2-3-10(16)5-11/h2-6,8-9,15-16H,7H2,1H3
InChIKeyCAGYUQPZNYSKLD-UHFFFAOYSA-N
XLogP1.76
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
3-(1-tert-butylpyrazol-4-yl)oxyphenol
CID 117229457
1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine
CID 117125328
3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol
CID 117229418
2-[4-(3-hydroxyphenoxy)pyrazol-1-yl]phenol
CID 117229367
3-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229390
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
CID 115031261
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
CID 115055488

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol?
The IUPAC name of 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol (CID 117124853) is 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol.
What is the SMILES notation for 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol?
The canonical SMILES for 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol is CC(O)Cn1cc(Oc2cccc(O)c2)cn1.
What is the InChIKey of 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol?
The InChIKey is CAGYUQPZNYSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9(15)7-14-8-12(6-13-14)17-11-4-2-3-10(16)5-11/h2-6,8-9,15-16H,7H2,1H3.
What are the key properties of 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol?
3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol has a molecular weight of 234.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol is sourced from PubChem (CID 117124853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).