5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde

C14H17N3O4 — CID 82360872

IUPAC5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
SMILESCOc1ccc(-c2nn(CCO)c(N)c2C=O)c(OC)c1
InChIInChI=1S/C14H17N3O4/c1-20-9-3-4-10(12(7-9)21-2)13-11(8-19)14(15)17(16-13)5-6-18/h3-4,7-8,18H,5-6,15H2,1-2H3
InChIKeySWDFIEMHFHYNHG-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.95
Rot. Bonds6

About 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde

5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde (PubChem CID 82360872) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
PubChem CID82360872
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
SMILESCOc1ccc(-c2nn(CCO)c(N)c2C=O)c(OC)c1
InChIInChI=1S/C14H17N3O4/c1-20-9-3-4-10(12(7-9)21-2)13-11(8-19)14(15)17(16-13)5-6-18/h3-4,7-8,18H,5-6,15H2,1-2H3
InChIKeySWDFIEMHFHYNHG-UHFFFAOYSA-N
XLogP0.95
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-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

Related Compounds

5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360682
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266471
3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266679
5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360546
1-tert-butyl-3-(2,4-dimethoxyphenyl)pyrazole-4-carbaldehyde
CID 43324230
2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;hydrochloride
CID 70046984
5-(2,4-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224887
5-amino-3-(3-fluoro-4-methoxyphenyl)-1-prop-2-enylpyrazole-4-carbaldehyde
CID 82361059
5-amino-3-(5-chloro-2-methylphenyl)-1-(methoxymethyl)pyrazole-4-carbaldehyde
CID 82361014
6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
CID 82444415
2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83986534

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde (CID 82360872) is 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde is COc1ccc(-c2nn(CCO)c(N)c2C=O)c(OC)c1.
What is the InChIKey of 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde?
The InChIKey is SWDFIEMHFHYNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-9-3-4-10(12(7-9)21-2)13-11(8-19)14(15)17(16-13)5-6-18/h3-4,7-8,18H,5-6,15H2,1-2H3.
What are the key properties of 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde?
5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde has a molecular weight of 291.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 82360872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).