1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine

C17H33N3O — CID 116719573

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C(CCC)OC
InChIInChI=1S/C17H33N3O/c1-6-9-17(21-5)16(18-11-7-2)13-15-10-12-20(19-15)14(4)8-3/h10,12,14,16-18H,6-9,11,13H2,1-5H3
InChIKeyAXEXIIPZYYORBO-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.58
Rot. Bonds11

About 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine (PubChem CID 116719573) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
PubChem CID116719573
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C(CCC)OC
InChIInChI=1S/C17H33N3O/c1-6-9-17(21-5)16(18-11-7-2)13-15-10-12-20(19-15)14(4)8-3/h10,12,14,16-18H,6-9,11,13H2,1-5H3
InChIKeyAXEXIIPZYYORBO-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

[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
CID 105271794
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
[3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-yl]hydrazine
CID 105271606
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine (CID 116719573) is 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine is CCCNC(Cc1ccn(C(C)CC)n1)C(CCC)OC.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine?
The InChIKey is AXEXIIPZYYORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-9-17(21-5)16(18-11-7-2)13-15-10-12-20(19-15)14(4)8-3/h10,12,14,16-18H,6-9,11,13H2,1-5H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-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 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116719573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).