2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine

C13H25N3O2 — CID 114661034

IUPAC2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1c(OC)cnn1CC
InChIInChI=1S/C13H25N3O2/c1-6-10(18-8-3)12(14-4)13-11(17-5)9-15-16(13)7-2/h9-10,12,14H,6-8H2,1-5H3
InChIKeyZACVWGZHLAXKSD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds8

About 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine (PubChem CID 114661034) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
PubChem CID114661034
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1c(OC)cnn1CC
InChIInChI=1S/C13H25N3O2/c1-6-10(18-8-3)12(14-4)13-11(17-5)9-15-16(13)7-2/h9-10,12,14H,6-8H2,1-5H3
InChIKeyZACVWGZHLAXKSD-UHFFFAOYSA-N
XLogP1.99
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

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Related Compounds

2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114661045
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxybutyl]hydrazine
CID 105270630
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine
CID 114661088
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245956
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271124
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine (CID 114661034) is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine is CCOC(CC)C(NC)c1c(OC)cnn1CC.
What is the InChIKey of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine?
The InChIKey is ZACVWGZHLAXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-10(18-8-3)12(14-4)13-11(17-5)9-15-16(13)7-2/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine?
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 114661034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).