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

C13H22ClN3O — CID 105034953

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1Cl)C1OCCC1C
InChIInChI=1S/C13H22ClN3O/c1-8-5-6-18-12(8)11(15-3)7-10-9(2)16-17(4)13(10)14/h8,11-12,15H,5-7H2,1-4H3
InChIKeyAUGTUKUYUQNJCM-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.94
Rot. Bonds4

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 105034953) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID105034953
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1Cl)C1OCCC1C
InChIInChI=1S/C13H22ClN3O/c1-8-5-6-18-12(8)11(15-3)7-10-9(2)16-17(4)13(10)14/h8,11-12,15H,5-7H2,1-4H3
InChIKeyAUGTUKUYUQNJCM-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105035095
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 104998436
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 113470323
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105316051
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105034892
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107190783
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105035142
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)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105180439
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
[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-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (CID 105034953) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine is CNC(Cc1c(C)nn(C)c1Cl)C1OCCC1C.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is AUGTUKUYUQNJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-8-5-6-18-12(8)11(15-3)7-10-9(2)16-17(4)13(10)14/h8,11-12,15H,5-7H2,1-4H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 271.79 g/mol, XLogP of 1.94, 4 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-methyl-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 105034953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).