5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde

C15H18N2O3 — CID 46398505

IUPAC5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCCOCCOc1c(C=O)c(C)nn1-c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-19-9-10-20-15-14(11-18)12(2)16-17(15)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyPQOUTDUXIRACOQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds7

About 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde

5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde (PubChem CID 46398505) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde
PubChem CID46398505
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCCOCCOc1c(C=O)c(C)nn1-c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-19-9-10-20-15-14(11-18)12(2)16-17(15)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyPQOUTDUXIRACOQ-UHFFFAOYSA-N
XLogP2.41
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-(2-phenoxyethoxy)pyrazole-4-carbaldehyde
CID 46398481
3-methyl-1-phenyl-5-phenylsulfanylpyrazole-4-carbaldehyde
CID 20983399
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 60979842
5-chloro-1-(4-ethoxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 82303923
3-methyl-1-phenyl-5-[propan-2-yl(propyl)amino]pyrazole-4-carbaldehyde
CID 43269732
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
5-[2-hydroxyethyl(propyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 61424993
5-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 90916998
3-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1-phenylpyrazole-4-carbaldehyde
CID 60890620
3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpyrazole-4-carbaldehyde
CID 63801876
5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 60984635

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde (CID 46398505) is 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde is CCOCCOc1c(C=O)c(C)nn1-c1ccccc1.
What is the InChIKey of 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is PQOUTDUXIRACOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-19-9-10-20-15-14(11-18)12(2)16-17(15)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde?
5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 46398505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).