3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde

C15H18N2O3 — CID 61266471

IUPAC3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H18N2O3/c1-4-7-17-9-11(10-18)15(16-17)13-6-5-12(19-2)8-14(13)20-3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyINEWWDUBZBLUEB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.79
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde

3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde (PubChem CID 61266471) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
PubChem CID61266471
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H18N2O3/c1-4-7-17-9-11(10-18)15(16-17)13-6-5-12(19-2)8-14(13)20-3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyINEWWDUBZBLUEB-UHFFFAOYSA-N
XLogP2.79
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde (CID 61266471) is 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde is CCCn1cc(C=O)c(-c2ccc(OC)cc2OC)n1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
The InChIKey is INEWWDUBZBLUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-7-17-9-11(10-18)15(16-17)13-6-5-12(19-2)8-14(13)20-3/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61266471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).