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

C14H28N4 — CID 79225010

IUPAC2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CCN(C)C)c(CC)c1CCNC
InChIInChI=1S/C14H28N4/c1-6-13-12(8-9-15-3)14(7-2)18(16-13)11-10-17(4)5/h15H,6-11H2,1-5H3
InChIKeyGHYMUKAWDVBWRB-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.33
Rot. Bonds8

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

2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 79225010) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
PubChem CID79225010
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CCN(C)C)c(CC)c1CCNC
InChIInChI=1S/C14H28N4/c1-6-13-12(8-9-15-3)14(7-2)18(16-13)11-10-17(4)5/h15H,6-11H2,1-5H3
InChIKeyGHYMUKAWDVBWRB-UHFFFAOYSA-N
XLogP1.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine (CID 79225010) is 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine is CCc1nn(CCN(C)C)c(CC)c1CCNC.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is GHYMUKAWDVBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-13-12(8-9-15-3)14(7-2)18(16-13)11-10-17(4)5/h15H,6-11H2,1-5H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 252.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79225010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).