3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol

C16H30N2O2 — CID 116711297

IUPAC3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H30N2O2/c1-5-9-16(20-8-4)15(19)12-13-10-11-18(17-13)14(6-2)7-3/h10-11,14-16,19H,5-9,12H2,1-4H3
InChIKeyBHXIHZOQBLHDPC-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.35
Rot. Bonds10

About 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol

3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol (PubChem CID 116711297) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
PubChem CID116711297
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H30N2O2/c1-5-9-16(20-8-4)15(19)12-13-10-11-18(17-13)14(6-2)7-3/h10-11,14-16,19H,5-9,12H2,1-4H3
InChIKeyBHXIHZOQBLHDPC-UHFFFAOYSA-N
XLogP3.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 116717615
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
CID 116713320
3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 115807945
[3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105271202
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol?
The IUPAC name of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol (CID 116711297) is 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol?
The canonical SMILES for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol is CCCC(OCC)C(O)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol?
The InChIKey is BHXIHZOQBLHDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-9-16(20-8-4)15(19)12-13-10-11-18(17-13)14(6-2)7-3/h10-11,14-16,19H,5-9,12H2,1-4H3.
What are the key properties of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol?
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol has a molecular weight of 282.43 g/mol, XLogP of 3.35, 10 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)hexan-2-ol is sourced from PubChem (CID 116711297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).