1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol

C16H23N3O — CID 64784536

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
SMILESCCC(CC)n1ccc(CC(O)Cc2ccccn2)n1
InChIInChI=1S/C16H23N3O/c1-3-15(4-2)19-10-8-14(18-19)12-16(20)11-13-7-5-6-9-17-13/h5-10,15-16,20H,3-4,11-12H2,1-2H3
InChIKeyDXVVBBAEEVERHP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds7

About 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol

1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol (PubChem CID 64784536) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
PubChem CID64784536
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
SMILESCCC(CC)n1ccc(CC(O)Cc2ccccn2)n1
InChIInChI=1S/C16H23N3O/c1-3-15(4-2)19-10-8-14(18-19)12-16(20)11-13-7-5-6-9-17-13/h5-10,15-16,20H,3-4,11-12H2,1-2H3
InChIKeyDXVVBBAEEVERHP-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
CID 64785290
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 102927552
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrimidin-2-one
CID 116618391

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol (CID 64784536) is 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol is CCC(CC)n1ccc(CC(O)Cc2ccccn2)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol?
The InChIKey is DXVVBBAEEVERHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-15(4-2)19-10-8-14(18-19)12-16(20)11-13-7-5-6-9-17-13/h5-10,15-16,20H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol?
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 64784536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).