1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine

C13H25N3O2 — CID 114649115

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1c(OC)cnn1CCC
InChIInChI=1S/C13H25N3O2/c1-5-7-16-13(12(17-4)9-15-16)11(14-3)10-18-8-6-2/h9,11,14H,5-8,10H2,1-4H3
InChIKeyCXLNLNLAQHWKKG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds9

About 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine (PubChem CID 114649115) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
PubChem CID114649115
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1c(OC)cnn1CCC
InChIInChI=1S/C13H25N3O2/c1-5-7-16-13(12(17-4)9-15-16)11(14-3)10-18-8-6-2/h9,11,14H,5-8,10H2,1-4H3
InChIKeyCXLNLNLAQHWKKG-UHFFFAOYSA-N
XLogP1.99
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105187077
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114648297
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925
[3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)propyl]hydrazine
CID 105206017
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
CID 105130553
1-(5-chlorofuran-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 106693264
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 105048734

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine (CID 114649115) is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)c1c(OC)cnn1CCC.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
The InChIKey is CXLNLNLAQHWKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-7-16-13(12(17-4)9-15-16)11(14-3)10-18-8-6-2/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine has a molecular weight of 255.36 g/mol, XLogP of 1.99, 9 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-propoxyethanamine is sourced from PubChem (CID 114649115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).