1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

C14H26ClN3O — CID 105180273

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H26ClN3O/c1-7-16-11(9-19-14(3,4)5)8-12-10(2)17-18(6)13(12)15/h11,16H,7-9H2,1-6H3
InChIKeyJOQWRJSPPIRWGN-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.72
Rot. Bonds6

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (PubChem CID 105180273) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
PubChem CID105180273
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H26ClN3O/c1-7-16-11(9-19-14(3,4)5)8-12-10(2)17-18(6)13(12)15/h11,16H,7-9H2,1-6H3
InChIKeyJOQWRJSPPIRWGN-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-propylsulfanylpropan-2-amine
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1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethoxy)-N-methylpropan-2-amine
CID 114032974
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
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1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760899
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (CID 105180273) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is CCNC(COC(C)(C)C)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The InChIKey is JOQWRJSPPIRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-7-16-11(9-19-14(3,4)5)8-12-10(2)17-18(6)13(12)15/h11,16H,7-9H2,1-6H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is sourced from PubChem (CID 105180273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).