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

C14H16N2O — CID 23248498

IUPAC6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
SMILESCC1(C)Cc2[nH]nc(-c3ccccc3)c2CO1
InChIInChI=1S/C14H16N2O/c1-14(2)8-12-11(9-17-14)13(16-15-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyRJYIKXMDKQNNSD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.93
Rot. Bonds1

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

6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole (PubChem CID 23248498) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
PubChem CID23248498
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
SMILESCC1(C)Cc2[nH]nc(-c3ccccc3)c2CO1
InChIInChI=1S/C14H16N2O/c1-14(2)8-12-11(9-17-14)13(16-15-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyRJYIKXMDKQNNSD-UHFFFAOYSA-N
XLogP2.93
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.93
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-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The IUPAC name of 6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole (CID 23248498) is 6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole is CC1(C)Cc2[nH]nc(-c3ccccc3)c2CO1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
The InChIKey is RJYIKXMDKQNNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(2)8-12-11(9-17-14)13(16-15-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole?
6,6-dimethyl-3-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole has a molecular weight of 228.30 g/mol, XLogP of 2.93, 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-phenyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 23248498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).