2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol

C15H21N3O — CID 64784265

IUPAC2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
SMILESCCC(CC)n1ccc(CC(O)c2cccnc2)n1
InChIInChI=1S/C15H21N3O/c1-3-14(4-2)18-9-7-13(17-18)10-15(19)12-6-5-8-16-11-12/h5-9,11,14-15,19H,3-4,10H2,1-2H3
InChIKeyFBEUFYAXUXCRCK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds6

About 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol

2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol (PubChem CID 64784265) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
PubChem CID64784265
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
SMILESCCC(CC)n1ccc(CC(O)c2cccnc2)n1
InChIInChI=1S/C15H21N3O/c1-3-14(4-2)18-9-7-13(17-18)10-15(19)12-6-5-8-16-11-12/h5-9,11,14-15,19H,3-4,10H2,1-2H3
InChIKeyFBEUFYAXUXCRCK-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylimidazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 66116921
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
CID 112558733
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115808069
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(5-ethylfuran-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783113
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol (CID 64784265) is 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol is CCC(CC)n1ccc(CC(O)c2cccnc2)n1.
What is the InChIKey of 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol?
The InChIKey is FBEUFYAXUXCRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-14(4-2)18-9-7-13(17-18)10-15(19)12-6-5-8-16-11-12/h5-9,11,14-15,19H,3-4,10H2,1-2H3.
What are the key properties of 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol?
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol has a molecular weight of 259.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 64784265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).