2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol

C18H26N2O — CID 66058093

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol
SMILESCCC(C)n1ccc(CC(CC)(CO)c2ccccc2)n1
InChIInChI=1S/C18H26N2O/c1-4-15(3)20-12-11-17(19-20)13-18(5-2,14-21)16-9-7-6-8-10-16/h6-12,15,21H,4-5,13-14H2,1-3H3
InChIKeyZBZSWZJEQVYULT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.74
Rot. Bonds7

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol (PubChem CID 66058093) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol
PubChem CID66058093
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol
SMILESCCC(C)n1ccc(CC(CC)(CO)c2ccccc2)n1
InChIInChI=1S/C18H26N2O/c1-4-15(3)20-12-11-17(19-20)13-18(5-2,14-21)16-9-7-6-8-10-16/h6-12,15,21H,4-5,13-14H2,1-3H3
InChIKeyZBZSWZJEQVYULT-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol (CID 66058093) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol is CCC(C)n1ccc(CC(CC)(CO)c2ccccc2)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol?
The InChIKey is ZBZSWZJEQVYULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-15(3)20-12-11-17(19-20)13-18(5-2,14-21)16-9-7-6-8-10-16/h6-12,15,21H,4-5,13-14H2,1-3H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol is sourced from PubChem (CID 66058093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).