5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde

C12H12N2O2 — CID 115029513

IUPAC5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde
SMILESCCc1cc(C=O)nn1-c1ccccc1O
InChIInChI=1S/C12H12N2O2/c1-2-10-7-9(8-15)13-14(10)11-5-3-4-6-12(11)16/h3-8,16H,2H2,1H3
InChIKeyCAUNQFYVEBCQSL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.95
Rot. Bonds3

About 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde

5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde (PubChem CID 115029513) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde
PubChem CID115029513
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde
SMILESCCc1cc(C=O)nn1-c1ccccc1O
InChIInChI=1S/C12H12N2O2/c1-2-10-7-9(8-15)13-14(10)11-5-3-4-6-12(11)16/h3-8,16H,2H2,1H3
InChIKeyCAUNQFYVEBCQSL-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.95
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

5-ethyl-1-phenylpyrazole-3-carbaldehyde
CID 115021958
1-(2-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115037721
1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 149478865
2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid
CID 83863982
5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
CID 105492249
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
tert-butyl 2-(3-formyl-5-methylpyrazol-1-yl)benzoate
CID 53396418
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
CID 82694027
5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde
CID 82195119

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde?
The IUPAC name of 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde (CID 115029513) is 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde is CCc1cc(C=O)nn1-c1ccccc1O.
What is the InChIKey of 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde?
The InChIKey is CAUNQFYVEBCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-10-7-9(8-15)13-14(10)11-5-3-4-6-12(11)16/h3-8,16H,2H2,1H3.
What are the key properties of 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde?
5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 115029513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).