2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine

C16H29N3O — CID 65334393

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)CC)n1)C1CCOCC1
InChIInChI=1S/C16H29N3O/c1-4-13(3)19-9-6-15(18-19)12-16(17-5-2)14-7-10-20-11-8-14/h6,9,13-14,16-17H,4-5,7-8,10-12H2,1-3H3
InChIKeyZSRFRYWCQVRXPR-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.80
Rot. Bonds7

About 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine (PubChem CID 65334393) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
PubChem CID65334393
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)CC)n1)C1CCOCC1
InChIInChI=1S/C16H29N3O/c1-4-13(3)19-9-6-15(18-19)12-16(17-5-2)14-7-10-20-11-8-14/h6,9,13-14,16-17H,4-5,7-8,10-12H2,1-3H3
InChIKeyZSRFRYWCQVRXPR-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-butan-2-ylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229429
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962351
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352897
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104989907
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991805
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
1-cyclopropyl-N-ethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772039
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine (CID 65334393) is 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine is CCNC(Cc1ccn(C(C)CC)n1)C1CCOCC1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The InChIKey is ZSRFRYWCQVRXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-13(3)19-9-6-15(18-19)12-16(17-5-2)14-7-10-20-11-8-14/h6,9,13-14,16-17H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65334393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).