3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one

C10H14N2O — CID 83861317

IUPAC3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
SMILESCC(C)(C)c1n[nH]c2c1C(=O)CC2
InChIInChI=1S/C10H14N2O/c1-10(2,3)9-8-6(11-12-9)4-5-7(8)13/h4-5H2,1-3H3,(H,11,12)
InChIKeyLOBANMZMUXEUEE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.84
Rot. Bonds

About 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one

3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one (PubChem CID 83861317) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one.

Molecular Properties

Compound Name3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
PubChem CID83861317
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
SMILESCC(C)(C)c1n[nH]c2c1C(=O)CC2
InChIInChI=1S/C10H14N2O/c1-10(2,3)9-8-6(11-12-9)4-5-7(8)13/h4-5H2,1-3H3,(H,11,12)
InChIKeyLOBANMZMUXEUEE-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The IUPAC name of 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one (CID 83861317) is 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one.
What is the SMILES notation for 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The canonical SMILES for 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one is CC(C)(C)c1n[nH]c2c1C(=O)CC2.
What is the InChIKey of 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The InChIKey is LOBANMZMUXEUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)9-8-6(11-12-9)4-5-7(8)13/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one is sourced from PubChem (CID 83861317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).