1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C14H27N3O2 — CID 105187077

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCCn1ncc(OC)c1C(COC(C)(C)C)NC
InChIInChI=1S/C14H27N3O2/c1-7-8-17-13(12(18-6)9-16-17)11(15-5)10-19-14(2,3)4/h9,11,15H,7-8,10H2,1-6H3
InChIKeyBWKIATQBZICNIT-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.38
Rot. Bonds7

About 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 105187077) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID105187077
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCCn1ncc(OC)c1C(COC(C)(C)C)NC
InChIInChI=1S/C14H27N3O2/c1-7-8-17-13(12(18-6)9-16-17)11(15-5)10-19-14(2,3)4/h9,11,15H,7-8,10H2,1-6H3
InChIKeyBWKIATQBZICNIT-UHFFFAOYSA-N
XLogP2.38
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
[3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)propyl]hydrazine
CID 105206017
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
[1-(4-chloro-1-propylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105337258
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114661045
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114648297
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 105048734
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 105187077) is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CCCn1ncc(OC)c1C(COC(C)(C)C)NC.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is BWKIATQBZICNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-7-8-17-13(12(18-6)9-16-17)11(15-5)10-19-14(2,3)4/h9,11,15H,7-8,10H2,1-6H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 105187077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).