5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde

C10H8N2O2 — CID 3160166

IUPAC5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1-c1ccc(O)cc1
InChIInChI=1S/C10H8N2O2/c13-6-8-5-11-12-10(8)7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12)
InChIKeyLWSHTQYMDDOOPT-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.59
Rot. Bonds2

About 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde

5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde (PubChem CID 3160166) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
PubChem CID3160166
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1-c1ccc(O)cc1
InChIInChI=1S/C10H8N2O2/c13-6-8-5-11-12-10(8)7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12)
InChIKeyLWSHTQYMDDOOPT-UHFFFAOYSA-N
XLogP1.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde (CID 3160166) is 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde is O=Cc1cn[nH]c1-c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is LWSHTQYMDDOOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-6-8-5-11-12-10(8)7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12).
What are the key properties of 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde?
5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 3160166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).