5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

C14H23N3O2 — CID 55003982

IUPAC5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOCCN(c1c(C=O)c(C)nn1C)C(C)C1CC1
InChIInChI=1S/C14H23N3O2/c1-10-13(9-18)14(16(3)15-10)17(7-8-19-4)11(2)12-5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyXUAWPXHRGHAVLI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.79
Rot. Bonds7

About 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 55003982) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID55003982
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOCCN(c1c(C=O)c(C)nn1C)C(C)C1CC1
InChIInChI=1S/C14H23N3O2/c1-10-13(9-18)14(16(3)15-10)17(7-8-19-4)11(2)12-5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyXUAWPXHRGHAVLI-UHFFFAOYSA-N
XLogP1.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.79
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 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (CID 55003982) is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is COCCN(c1c(C=O)c(C)nn1C)C(C)C1CC1.
What is the InChIKey of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is XUAWPXHRGHAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-13(9-18)14(16(3)15-10)17(7-8-19-4)11(2)12-5-6-12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 265.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 55003982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).