6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole

C11H18N2O — CID 118489322

IUPAC6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
SMILESCC(C)c1n[nH]c2c1COC(C)(C)C2
InChIInChI=1S/C11H18N2O/c1-7(2)10-8-6-14-11(3,4)5-9(8)12-13-10/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyJRWNTZARXYCXJO-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.38
Rot. Bonds1

About 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole

6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole (PubChem CID 118489322) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
PubChem CID118489322
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
SMILESCC(C)c1n[nH]c2c1COC(C)(C)C2
InChIInChI=1S/C11H18N2O/c1-7(2)10-8-6-14-11(3,4)5-9(8)12-13-10/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyJRWNTZARXYCXJO-UHFFFAOYSA-N
XLogP2.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The IUPAC name of 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole (CID 118489322) is 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole is CC(C)c1n[nH]c2c1COC(C)(C)C2.
What is the InChIKey of 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The InChIKey is JRWNTZARXYCXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)10-8-6-14-11(3,4)5-9(8)12-13-10/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 118489322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).