N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine

C15H30N4 — CID 107431118

IUPACN-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CCN(C)C)c1CC
InChIInChI=1S/C15H30N4/c1-6-9-16-12-13-14(7-2)17-19(15(13)8-3)11-10-18(4)5/h16H,6-12H2,1-5H3
InChIKeyAZVHYUZXYXMDGA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.07
Rot. Bonds9

About N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine

N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 107431118) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID107431118
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CCN(C)C)c1CC
InChIInChI=1S/C15H30N4/c1-6-9-16-12-13-14(7-2)17-19(15(13)8-3)11-10-18(4)5/h16H,6-12H2,1-5H3
InChIKeyAZVHYUZXYXMDGA-UHFFFAOYSA-N
XLogP2.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine (CID 107431118) is N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(CC)nn(CCN(C)C)c1CC.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is AZVHYUZXYXMDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-9-16-12-13-14(7-2)17-19(15(13)8-3)11-10-18(4)5/h16H,6-12H2,1-5H3.
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 107431118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).