3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole

C10H16N2O — CID 118493355

IUPAC3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
SMILESCCc1n[nH]c2c1COC(C)(C)C2
InChIInChI=1S/C10H16N2O/c1-4-8-7-6-13-10(2,3)5-9(7)12-11-8/h4-6H2,1-3H3,(H,11,12)
InChIKeyAKPBNLKBNMMDHJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.82
Rot. Bonds1

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

3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole (PubChem CID 118493355) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
PubChem CID118493355
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
SMILESCCc1n[nH]c2c1COC(C)(C)C2
InChIInChI=1S/C10H16N2O/c1-4-8-7-6-13-10(2,3)5-9(7)12-11-8/h4-6H2,1-3H3,(H,11,12)
InChIKeyAKPBNLKBNMMDHJ-UHFFFAOYSA-N
XLogP1.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The IUPAC name of 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole (CID 118493355) is 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole is CCc1n[nH]c2c1COC(C)(C)C2.
What is the InChIKey of 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The InChIKey is AKPBNLKBNMMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-8-7-6-13-10(2,3)5-9(7)12-11-8/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 118493355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).