1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde

C13H14N2O2 — CID 115037723

IUPAC1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
SMILESCC(C)c1cc(C=O)nn1-c1ccc(O)cc1
InChIInChI=1S/C13H14N2O2/c1-9(2)13-7-10(8-16)14-15(13)11-3-5-12(17)6-4-11/h3-9,17H,1-2H3
InChIKeyWUGQOZKGEJSNLT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde

1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde (PubChem CID 115037723) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
PubChem CID115037723
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
SMILESCC(C)c1cc(C=O)nn1-c1ccc(O)cc1
InChIInChI=1S/C13H14N2O2/c1-9(2)13-7-10(8-16)14-15(13)11-3-5-12(17)6-4-11/h3-9,17H,1-2H3
InChIKeyWUGQOZKGEJSNLT-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115036746
1-(4-bromophenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115053033
1-(2-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115037721
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
1-(4-fluorophenyl)-5-(2-methylpropyl)pyrazole-3-carbaldehyde
CID 118512828
3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264
5-ethyl-1-phenylpyrazole-3-carbaldehyde
CID 115021958
4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 118344839
1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
CID 117124282
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde
CID 170994530
1-(4-hydroxyphenyl)triazole-4-carbaldehyde
CID 84661862

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde?
The IUPAC name of 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde (CID 115037723) is 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde is CC(C)c1cc(C=O)nn1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde?
The InChIKey is WUGQOZKGEJSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)13-7-10(8-16)14-15(13)11-3-5-12(17)6-4-11/h3-9,17H,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde?
1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde is sourced from PubChem (CID 115037723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).