2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

C16H29N3O2 — CID 116764841

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCCC(C)n1ccc(CC(NC)C2(OC)CCOCC2)n1
InChIInChI=1S/C16H29N3O2/c1-5-13(2)19-9-6-14(18-19)12-15(17-3)16(20-4)7-10-21-11-8-16/h6,9,13,15,17H,5,7-8,10-12H2,1-4H3
InChIKeyCPXOURKTSMSVPF-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.18
Rot. Bonds7

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116764841) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
PubChem CID116764841
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCCC(C)n1ccc(CC(NC)C2(OC)CCOCC2)n1
InChIInChI=1S/C16H29N3O2/c1-5-13(2)19-9-6-14(18-19)12-15(17-3)16(20-4)7-10-21-11-8-16/h6,9,13,15,17H,5,7-8,10-12H2,1-4H3
InChIKeyCPXOURKTSMSVPF-UHFFFAOYSA-N
XLogP2.18
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710449
N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116714664
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
2-(2,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764722
N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991851
1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722385
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 65334393
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (CID 116764841) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is CCC(C)n1ccc(CC(NC)C2(OC)CCOCC2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is CPXOURKTSMSVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-13(2)19-9-6-14(18-19)12-15(17-3)16(20-4)7-10-21-11-8-16/h6,9,13,15,17H,5,7-8,10-12H2,1-4H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 295.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116764841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).