2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine

C8H17N3 — CID 118617278

IUPAC2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCC1=CCNN1
InChIInChI=1S/C8H17N3/c1-3-11(2)7-5-8-4-6-9-10-8/h4,9-10H,3,5-7H2,1-2H3
InChIKeyJRDWMSLMCQJQGQ-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.32
Rot. Bonds4

About 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine

2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine (PubChem CID 118617278) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine
PubChem CID118617278
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCC1=CCNN1
InChIInChI=1S/C8H17N3/c1-3-11(2)7-5-8-4-6-9-10-8/h4,9-10H,3,5-7H2,1-2H3
InChIKeyJRDWMSLMCQJQGQ-UHFFFAOYSA-N
XLogP0.32
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine (CID 118617278) is 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine is CCN(C)CCC1=CCNN1.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine?
The InChIKey is JRDWMSLMCQJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-11(2)7-5-8-4-6-9-10-8/h4,9-10H,3,5-7H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine?
2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine has a molecular weight of 155.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrazol-5-yl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 118617278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).