3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one

C10H16N2O2 — CID 13474358

IUPAC3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one
SMILESCC(C)C1OC(=O)C2C1N=NC2(C)C
InChIInChI=1S/C10H16N2O2/c1-5(2)8-7-6(9(13)14-8)10(3,4)12-11-7/h5-8H,1-4H3
InChIKeyYPXCNGUNLIZTHS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.80
Rot. Bonds1

About 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one

3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one (PubChem CID 13474358) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one
PubChem CID13474358
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one
SMILESCC(C)C1OC(=O)C2C1N=NC2(C)C
InChIInChI=1S/C10H16N2O2/c1-5(2)8-7-6(9(13)14-8)10(3,4)12-11-7/h5-8H,1-4H3
InChIKeyYPXCNGUNLIZTHS-UHFFFAOYSA-N
XLogP1.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one?
The IUPAC name of 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one (CID 13474358) is 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one?
The canonical SMILES for 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one is CC(C)C1OC(=O)C2C1N=NC2(C)C.
What is the InChIKey of 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one?
The InChIKey is YPXCNGUNLIZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5(2)8-7-6(9(13)14-8)10(3,4)12-11-7/h5-8H,1-4H3.
What are the key properties of 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one?
3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one has a molecular weight of 196.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 13474358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).