1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine

C13H21N3 — CID 106226438

IUPAC1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine
SMILESCCc1nn(C)c(CC)c1C#CC(N)CC
InChIInChI=1S/C13H21N3/c1-5-10(14)8-9-11-12(6-2)15-16(4)13(11)7-3/h10H,5-7,14H2,1-4H3
InChIKeyFTNVNBURKBDLJP-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.63
Rot. Bonds3

About 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine

1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine (PubChem CID 106226438) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine
PubChem CID106226438
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine
SMILESCCc1nn(C)c(CC)c1C#CC(N)CC
InChIInChI=1S/C13H21N3/c1-5-10(14)8-9-11-12(6-2)15-16(4)13(11)7-3/h10H,5-7,14H2,1-4H3
InChIKeyFTNVNBURKBDLJP-UHFFFAOYSA-N
XLogP1.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine 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 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine?
The IUPAC name of 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine (CID 106226438) is 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine?
The canonical SMILES for 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine is CCc1nn(C)c(CC)c1C#CC(N)CC.
What is the InChIKey of 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine?
The InChIKey is FTNVNBURKBDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-10(14)8-9-11-12(6-2)15-16(4)13(11)7-3/h10H,5-7,14H2,1-4H3.
What are the key properties of 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine?
1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethyl-1-methylpyrazol-4-yl)pent-1-yn-3-amine is sourced from PubChem (CID 106226438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).