2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one

C16H24N2O2 — CID 139460671

IUPAC2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one
SMILESCC(C)(C)C1=C(O)C(CC(C)(C)n2cccn2)CC1=O
InChIInChI=1S/C16H24N2O2/c1-15(2,3)13-12(19)9-11(14(13)20)10-16(4,5)18-8-6-7-17-18/h6-8,11,20H,9-10H2,1-5H3
InChIKeyUDZGRMOIVIAMKC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.46
Rot. Bonds3

About 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one

2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one (PubChem CID 139460671) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one
PubChem CID139460671
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one
SMILESCC(C)(C)C1=C(O)C(CC(C)(C)n2cccn2)CC1=O
InChIInChI=1S/C16H24N2O2/c1-15(2,3)13-12(19)9-11(14(13)20)10-16(4,5)18-8-6-7-17-18/h6-8,11,20H,9-10H2,1-5H3
InChIKeyUDZGRMOIVIAMKC-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one?
The IUPAC name of 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one (CID 139460671) is 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one is CC(C)(C)C1=C(O)C(CC(C)(C)n2cccn2)CC1=O.
What is the InChIKey of 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one?
The InChIKey is UDZGRMOIVIAMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)13-12(19)9-11(14(13)20)10-16(4,5)18-8-6-7-17-18/h6-8,11,20H,9-10H2,1-5H3.
What are the key properties of 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one?
2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-hydroxy-4-(2-methyl-2-pyrazol-1-ylpropyl)cyclopent-2-en-1-one is sourced from PubChem (CID 139460671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).