2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine

C14H24ClN3O — CID 105035095

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1CCOC1C
InChIInChI=1S/C14H24ClN3O/c1-5-16-13(11-6-7-19-10(11)3)8-12-9(2)17-18(4)14(12)15/h10-11,13,16H,5-8H2,1-4H3
InChIKeyFRHZPSZNDDSHMC-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.33
Rot. Bonds5

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 105035095) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID105035095
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1CCOC1C
InChIInChI=1S/C14H24ClN3O/c1-5-16-13(11-6-7-19-10(11)3)8-12-9(2)17-18(4)14(12)15/h10-11,13,16H,5-8H2,1-4H3
InChIKeyFRHZPSZNDDSHMC-UHFFFAOYSA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107190783
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105034953
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105180344
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991805
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445293
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247730
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]hydrazine
CID 105247975

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine (CID 105035095) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine is CCNC(Cc1c(C)nn(C)c1Cl)C1CCOC1C.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is FRHZPSZNDDSHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-16-13(11-6-7-19-10(11)3)8-12-9(2)17-18(4)14(12)15/h10-11,13,16H,5-8H2,1-4H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105035095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).