5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde

C15H19N3O2 — CID 82360546

IUPAC5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1nc(-c2ccc(OCC)cc2)c(C=O)c1N
InChIInChI=1S/C15H19N3O2/c1-3-9-18-15(16)13(10-19)14(17-18)11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9,16H2,1-2H3
InChIKeyGOHXOOMXKOVOJK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.75
Rot. Bonds6

About 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde

5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde (PubChem CID 82360546) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
PubChem CID82360546
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1nc(-c2ccc(OCC)cc2)c(C=O)c1N
InChIInChI=1S/C15H19N3O2/c1-3-9-18-15(16)13(10-19)14(17-18)11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9,16H2,1-2H3
InChIKeyGOHXOOMXKOVOJK-UHFFFAOYSA-N
XLogP2.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(3-nitrophenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360447
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
5-amino-3-(4-chlorophenyl)-1-(3-hydroxypropyl)pyrazole-4-carbaldehyde
CID 82360396
5-amino-3-(4-fluoro-3-methylphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360840
5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde
CID 95996033
5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
CID 62219228
5-amino-1-(3-hydroxypropyl)-3-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 82360596
5-amino-3-(4-butan-2-ylphenyl)-1-prop-2-enylpyrazole-4-carbaldehyde
CID 82360901
3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
CID 83222885
5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360768
5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
CID 82360872

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde (CID 82360546) is 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde is CCCn1nc(-c2ccc(OCC)cc2)c(C=O)c1N.
What is the InChIKey of 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
The InChIKey is GOHXOOMXKOVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-9-18-15(16)13(10-19)14(17-18)11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9,16H2,1-2H3.
What are the key properties of 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde?
5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 82360546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).