5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

C15H19N3O2 — CID 62115998

IUPAC5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(CCO)Cc2ccccc2)c1C=O
InChIInChI=1S/C15H19N3O2/c1-12-14(11-20)15(17(2)16-12)18(8-9-19)10-13-6-4-3-5-7-13/h3-7,11,19H,8-10H2,1-2H3
InChIKeyLLMOGUDXSQNWAE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.54
Rot. Bonds6

About 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 62115998) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID62115998
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(CCO)Cc2ccccc2)c1C=O
InChIInChI=1S/C15H19N3O2/c1-12-14(11-20)15(17(2)16-12)18(8-9-19)10-13-6-4-3-5-7-13/h3-7,11,19H,8-10H2,1-2H3
InChIKeyLLMOGUDXSQNWAE-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-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-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61425045
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752907
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 60979842
5-[2-hydroxyethyl(propyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 61424993
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde
CID 61411890
1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde
CID 43565126
5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61417546
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide
CID 54986507
2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83183770
4-(dibenzylamino)-2,6-dimethylbenzaldehyde
CID 86163610
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (CID 62115998) is 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(N(CCO)Cc2ccccc2)c1C=O.
What is the InChIKey of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is LLMOGUDXSQNWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-14(11-20)15(17(2)16-12)18(8-9-19)10-13-6-4-3-5-7-13/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 62115998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).