5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde

C15H19N3O2 — CID 60979842

IUPAC5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCCN(CCO)c1c(C=O)c(C)nn1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-17(9-10-19)15-14(11-20)12(2)16-18(15)13-7-5-4-6-8-13/h4-8,11,19H,3,9-10H2,1-2H3
InChIKeyUIKNNQLFWKBHNJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds6

About 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde

5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde (PubChem CID 60979842) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
PubChem CID60979842
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCCN(CCO)c1c(C=O)c(C)nn1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-17(9-10-19)15-14(11-20)12(2)16-18(15)13-7-5-4-6-8-13/h4-8,11,19H,3,9-10H2,1-2H3
InChIKeyUIKNNQLFWKBHNJ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-[2-hydroxyethyl(propyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 61424993
3-methyl-1-phenyl-5-[propan-2-yl(propyl)amino]pyrazole-4-carbaldehyde
CID 43269732
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 62115998
3-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1-phenylpyrazole-4-carbaldehyde
CID 60890620
5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 60984635
5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61425045
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890949
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 169454458
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
3-methyl-1-phenyl-5-phenylsulfanylpyrazole-4-carbaldehyde
CID 20983399
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
5-(2-ethoxyethoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 46398505

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde (CID 60979842) is 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde is CCN(CCO)c1c(C=O)c(C)nn1-c1ccccc1.
What is the InChIKey of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is UIKNNQLFWKBHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-17(9-10-19)15-14(11-20)12(2)16-18(15)13-7-5-4-6-8-13/h4-8,11,19H,3,9-10H2,1-2H3.
What are the key properties of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde?
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 60979842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).