2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine

C14H27N3O2 — CID 114661045

IUPAC2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
SMILESCCCn1ncc(OC)c1C(NC)C(CC)OCC
InChIInChI=1S/C14H27N3O2/c1-6-9-17-14(12(18-5)10-16-17)13(15-4)11(7-2)19-8-3/h10-11,13,15H,6-9H2,1-5H3
InChIKeyNDUHIFLSYHOQGB-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.38
Rot. Bonds9

About 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine

2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine (PubChem CID 114661045) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
PubChem CID114661045
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
SMILESCCCn1ncc(OC)c1C(NC)C(CC)OCC
InChIInChI=1S/C14H27N3O2/c1-6-9-17-14(12(18-5)10-16-17)13(15-4)11(7-2)19-8-3/h10-11,13,15H,6-9H2,1-5H3
InChIKeyNDUHIFLSYHOQGB-UHFFFAOYSA-N
XLogP2.38
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
CID 114661034
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114643704
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105187077
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutyl]hydrazine
CID 114282170
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709
[1-(4-methoxy-1-propylpyrazol-5-yl)-2,3-dimethylbutyl]hydrazine
CID 105339861
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
3-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114666702
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine (CID 114661045) is 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine is CCCn1ncc(OC)c1C(NC)C(CC)OCC.
What is the InChIKey of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine?
The InChIKey is NDUHIFLSYHOQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-9-17-14(12(18-5)10-16-17)13(15-4)11(7-2)19-8-3/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine?
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 114661045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).