[1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate

C15H24N2O2 — CID 174608550

IUPAC[1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate
SMILESCC(C)(C)c1cc(CC(CC2CCC2)OC=O)[nH]n1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)14-9-12(16-17-14)8-13(19-10-18)7-11-5-4-6-11/h9-11,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyBNQMNDDOUCCIPV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.98
Rot. Bonds6

About [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate

[1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate (PubChem CID 174608550) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate.

Molecular Properties

Compound Name[1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate
PubChem CID174608550
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate
SMILESCC(C)(C)c1cc(CC(CC2CCC2)OC=O)[nH]n1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)14-9-12(16-17-14)8-13(19-10-18)7-11-5-4-6-11/h9-11,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyBNQMNDDOUCCIPV-UHFFFAOYSA-N
XLogP2.98
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate?
The IUPAC name of [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate (CID 174608550) is [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate.
What is the SMILES notation for [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate?
The canonical SMILES for [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate is CC(C)(C)c1cc(CC(CC2CCC2)OC=O)[nH]n1.
What is the InChIKey of [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate?
The InChIKey is BNQMNDDOUCCIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)14-9-12(16-17-14)8-13(19-10-18)7-11-5-4-6-11/h9-11,13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate?
[1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate has a molecular weight of 264.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butyl-1H-pyrazol-5-yl)-3-cyclobutylpropan-2-yl] formate is sourced from PubChem (CID 174608550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).