4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine

C19H38N4O — CID 145134343

IUPAC4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine
SMILESCC.CC.CNC1CC1.Cc1cn(C2CCN(C=O)CC2)nc1C
InChIInChI=1S/C11H17N3O.C4H9N.2C2H6/c1-9-7-14(12-10(9)2)11-3-5-13(8-15)6-4-11;1-5-4-2-3-4;2*1-2/h7-8,11H,3-6H2,1-2H3;4-5H,2-3H2,1H3;2*1-2H3
InChIKeyCWGCHABWWOUAIN-UHFFFAOYSA-N
MW338.54 g/mol
LogP3.71
Rot. Bonds3

About 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine

4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine (PubChem CID 145134343) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine.

Molecular Properties

Compound Name4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine
PubChem CID145134343
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine
SMILESCC.CC.CNC1CC1.Cc1cn(C2CCN(C=O)CC2)nc1C
InChIInChI=1S/C11H17N3O.C4H9N.2C2H6/c1-9-7-14(12-10(9)2)11-3-5-13(8-15)6-4-11;1-5-4-2-3-4;2*1-2/h7-8,11H,3-6H2,1-2H3;4-5H,2-3H2,1H3;2*1-2H3
InChIKeyCWGCHABWWOUAIN-UHFFFAOYSA-N
XLogP3.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine?
The IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine (CID 145134343) is 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine.
What is the SMILES notation for 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine?
The canonical SMILES for 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine is CC.CC.CNC1CC1.Cc1cn(C2CCN(C=O)CC2)nc1C.
What is the InChIKey of 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine?
The InChIKey is CWGCHABWWOUAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C4H9N.2C2H6/c1-9-7-14(12-10(9)2)11-3-5-13(8-15)6-4-11;1-5-4-2-3-4;2*1-2/h7-8,11H,3-6H2,1-2H3;4-5H,2-3H2,1H3;2*1-2H3.
What are the key properties of 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine?
4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine has a molecular weight of 338.54 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine is sourced from PubChem (CID 145134343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).