2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine

C14H24ClN3O — CID 104998436

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCc1nn(C)c(CC(NC)C2OCCC2C)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-5-10-13(15)12(18(4)17-10)8-11(16-3)14-9(2)6-7-19-14/h9,11,14,16H,5-8H2,1-4H3
InChIKeyTVQDZHBOBLYSTC-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 104998436) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID104998436
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCc1nn(C)c(CC(NC)C2OCCC2C)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-5-10-13(15)12(18(4)17-10)8-11(16-3)14-9(2)6-7-19-14/h9,11,14,16H,5-8H2,1-4H3
InChIKeyTVQDZHBOBLYSTC-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105001400
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104998621
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105316051
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105034953
N-[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 104998573
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105014570
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715572
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine
CID 105316856
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 104998602
N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534765
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789867

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (CID 104998436) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine is CCc1nn(C)c(CC(NC)C2OCCC2C)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is TVQDZHBOBLYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-10-13(15)12(18(4)17-10)8-11(16-3)14-9(2)6-7-19-14/h9,11,14,16H,5-8H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 104998436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).