3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine

C17H33N3O — CID 64779415

IUPAC3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccn(C(CC)CC)n1)C(C)OCC
InChIInChI=1S/C17H33N3O/c1-6-11-18-17(14(5)21-9-4)13-15-10-12-20(19-15)16(7-2)8-3/h10,12,14,16-18H,6-9,11,13H2,1-5H3
InChIKeyFENSGEDHKBKHHV-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.58
Rot. Bonds11

About 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine

3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine (PubChem CID 64779415) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
PubChem CID64779415
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccn(C(CC)CC)n1)C(C)OCC
InChIInChI=1S/C17H33N3O/c1-6-11-18-17(14(5)21-9-4)13-15-10-12-20(19-15)16(7-2)8-3/h10,12,14,16-18H,6-9,11,13H2,1-5H3
InChIKeyFENSGEDHKBKHHV-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
[3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105271202
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 116717615
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116711297
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine (CID 64779415) is 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine is CCCNC(Cc1ccn(C(CC)CC)n1)C(C)OCC.
What is the InChIKey of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
The InChIKey is FENSGEDHKBKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-11-18-17(14(5)21-9-4)13-15-10-12-20(19-15)16(7-2)8-3/h10,12,14,16-18H,6-9,11,13H2,1-5H3.
What are the key properties of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 64779415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).