2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine

C15H29N3O3 — CID 114657606

IUPAC2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCCNC(c1c(OC)cnn1C(C)C)C(OCC)OCC
InChIInChI=1S/C15H29N3O3/c1-7-16-13(15(20-8-2)21-9-3)14-12(19-6)10-17-18(14)11(4)5/h10-11,13,15-16H,7-9H2,1-6H3
InChIKeyCVGURZCCCHFOGO-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.52
Rot. Bonds10

About 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine

2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine (PubChem CID 114657606) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
PubChem CID114657606
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCCNC(c1c(OC)cnn1C(C)C)C(OCC)OCC
InChIInChI=1S/C15H29N3O3/c1-7-16-13(15(20-8-2)21-9-3)14-12(19-6)10-17-18(14)11(4)5/h10-11,13,15-16H,7-9H2,1-6H3
InChIKeyCVGURZCCCHFOGO-UHFFFAOYSA-N
XLogP2.52
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048332
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653589
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830652
2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
4-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-amine
CID 105186873
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 114648090

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine (CID 114657606) is 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine is CCNC(c1c(OC)cnn1C(C)C)C(OCC)OCC.
What is the InChIKey of 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine?
The InChIKey is CVGURZCCCHFOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-7-16-13(15(20-8-2)21-9-3)14-12(19-6)10-17-18(14)11(4)5/h10-11,13,15-16H,7-9H2,1-6H3.
What are the key properties of 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine?
2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine has a molecular weight of 299.42 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114657606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).