N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine

C16H27N3 — CID 78336604

IUPACN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CNNC1c1ccc(C)c(C)c1
InChIInChI=1S/C16H27N3/c1-5-19(6-2)11-15-10-17-18-16(15)14-8-7-12(3)13(4)9-14/h7-9,15-18H,5-6,10-11H2,1-4H3
InChIKeyLUWXCOBBCYCJAE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.41
Rot. Bonds5

About N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine

N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine (PubChem CID 78336604) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine
PubChem CID78336604
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CNNC1c1ccc(C)c(C)c1
InChIInChI=1S/C16H27N3/c1-5-19(6-2)11-15-10-17-18-16(15)14-8-7-12(3)13(4)9-14/h7-9,15-18H,5-6,10-11H2,1-4H3
InChIKeyLUWXCOBBCYCJAE-UHFFFAOYSA-N
XLogP2.41
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine (CID 78336604) is N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine is CCN(CC)CC1CNNC1c1ccc(C)c(C)c1.
What is the InChIKey of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine?
The InChIKey is LUWXCOBBCYCJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-19(6-2)11-15-10-17-18-16(15)14-8-7-12(3)13(4)9-14/h7-9,15-18H,5-6,10-11H2,1-4H3.
What are the key properties of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine?
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 78336604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).