1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C18H24N2O — CID 64772434

IUPAC1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C18H24N2O/c1-14(2)20-12-9-16(19-20)13-17(21)18(10-6-11-18)15-7-4-3-5-8-15/h3-5,7-9,12,14,17,21H,6,10-11,13H2,1-2H3
InChIKeyORGWLWARXFOHMV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.49
Rot. Bonds5

About 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 64772434) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID64772434
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C18H24N2O/c1-14(2)20-12-9-16(19-20)13-17(21)18(10-6-11-18)15-7-4-3-5-8-15/h3-5,7-9,12,14,17,21H,6,10-11,13H2,1-2H3
InChIKeyORGWLWARXFOHMV-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 64772434) is 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is ORGWLWARXFOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)20-12-9-16(19-20)13-17(21)18(10-6-11-18)15-7-4-3-5-8-15/h3-5,7-9,12,14,17,21H,6,10-11,13H2,1-2H3.
What are the key properties of 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 284.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64772434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).