5-ethyl-1-phenylpyrazole-3-carbaldehyde

C12H12N2O — CID 115021958

IUPAC5-ethyl-1-phenylpyrazole-3-carbaldehyde
SMILESCCc1cc(C=O)nn1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-2-11-8-10(9-15)13-14(11)12-6-4-3-5-7-12/h3-9H,2H2,1H3
InChIKeyLISGXYKTILVXST-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.25
Rot. Bonds3

About 5-ethyl-1-phenylpyrazole-3-carbaldehyde

5-ethyl-1-phenylpyrazole-3-carbaldehyde (PubChem CID 115021958) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-ethyl-1-phenylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-1-phenylpyrazole-3-carbaldehyde
PubChem CID115021958
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-ethyl-1-phenylpyrazole-3-carbaldehyde
SMILESCCc1cc(C=O)nn1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-2-11-8-10(9-15)13-14(11)12-6-4-3-5-7-12/h3-9H,2H2,1H3
InChIKeyLISGXYKTILVXST-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde
CID 115029513
1-(4-fluorophenyl)-5-(2-methylpropyl)pyrazole-3-carbaldehyde
CID 118512828
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115036746
1-(3-iodophenyl)-5-methylpyrazole-3-carbaldehyde
CID 139675334
1-(4-bromophenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115053033
1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115037723
[5-(2-methylpropyl)-1-phenylpyrazol-3-yl] formate
CID 176809773
1-(2-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115037721
3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411
1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 149478865
5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
CID 115037644
3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-phenylpyrazole-3-carbaldehyde?
The IUPAC name of 5-ethyl-1-phenylpyrazole-3-carbaldehyde (CID 115021958) is 5-ethyl-1-phenylpyrazole-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-1-phenylpyrazole-3-carbaldehyde?
The canonical SMILES for 5-ethyl-1-phenylpyrazole-3-carbaldehyde is CCc1cc(C=O)nn1-c1ccccc1.
What is the InChIKey of 5-ethyl-1-phenylpyrazole-3-carbaldehyde?
The InChIKey is LISGXYKTILVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-11-8-10(9-15)13-14(11)12-6-4-3-5-7-12/h3-9H,2H2,1H3.
What are the key properties of 5-ethyl-1-phenylpyrazole-3-carbaldehyde?
5-ethyl-1-phenylpyrazole-3-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-phenylpyrazole-3-carbaldehyde is sourced from PubChem (CID 115021958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).