1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde

C13H20N2O — CID 107430946

IUPAC1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde
SMILESCCc1nn(C(C)C2CC2)c(CC)c1C=O
InChIInChI=1S/C13H20N2O/c1-4-12-11(8-16)13(5-2)15(14-12)9(3)10-6-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBOJMRHNZOJSUGK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.79
Rot. Bonds5

About 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde

1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde (PubChem CID 107430946) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde
PubChem CID107430946
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde
SMILESCCc1nn(C(C)C2CC2)c(CC)c1C=O
InChIInChI=1S/C13H20N2O/c1-4-12-11(8-16)13(5-2)15(14-12)9(3)10-6-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBOJMRHNZOJSUGK-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-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

1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430880
3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde
CID 82697974
1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde
CID 82697766
1-(1-cyclopropylethyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 61272690
1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde
CID 107430951
3,5-diethyl-1-(2-propoxyethyl)pyrazole-4-carbaldehyde
CID 106457360
N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66442564
3,5-diethyl-1-(4-methoxybutyl)pyrazole-4-carbaldehyde
CID 104649581
1-(1-cyclopropylethyl)-5-propylpyrazol-4-amine
CID 66441435
1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826107
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropylbutan-2-one
CID 114980481
1-[(4-bromo-2-fluorophenyl)methyl]-3,5-diethylpyrazole-4-carbaldehyde
CID 82696887

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde (CID 107430946) is 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde is CCc1nn(C(C)C2CC2)c(CC)c1C=O.
What is the InChIKey of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde?
The InChIKey is BOJMRHNZOJSUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12-11(8-16)13(5-2)15(14-12)9(3)10-6-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde?
1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde has a molecular weight of 220.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 107430946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).