3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde

C15H22N4O2 — CID 82877127

IUPAC3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2c(C)nn(CCOC)c2C)n1
InChIInChI=1S/C15H22N4O2/c1-5-6-18-9-13(10-20)15(17-18)14-11(2)16-19(12(14)3)7-8-21-4/h9-10H,5-8H2,1-4H3
InChIKeyQASZTGUSKBZJIM-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.23
Rot. Bonds7

About 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde

3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde (PubChem CID 82877127) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde
PubChem CID82877127
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2c(C)nn(CCOC)c2C)n1
InChIInChI=1S/C15H22N4O2/c1-5-6-18-9-13(10-20)15(17-18)14-11(2)16-19(12(14)3)7-8-21-4/h9-10H,5-8H2,1-4H3
InChIKeyQASZTGUSKBZJIM-UHFFFAOYSA-N
XLogP2.23
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde?
The IUPAC name of 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde (CID 82877127) is 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde is CCCn1cc(C=O)c(-c2c(C)nn(CCOC)c2C)n1.
What is the InChIKey of 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde?
The InChIKey is QASZTGUSKBZJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-6-18-9-13(10-20)15(17-18)14-11(2)16-19(12(14)3)7-8-21-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde?
3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde has a molecular weight of 290.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 82877127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).