1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole

C12H20N2 — CID 121390649

IUPAC1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole
SMILESCCc1nn(CC)c2c1CCC2(C)C
InChIInChI=1S/C12H20N2/c1-5-10-9-7-8-12(3,4)11(9)14(6-2)13-10/h5-8H2,1-4H3
InChIKeyMDARFVKDMQLLNU-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.69
Rot. Bonds2

About 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole

1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole (PubChem CID 121390649) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole
PubChem CID121390649
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole
SMILESCCc1nn(CC)c2c1CCC2(C)C
InChIInChI=1S/C12H20N2/c1-5-10-9-7-8-12(3,4)11(9)14(6-2)13-10/h5-8H2,1-4H3
InChIKeyMDARFVKDMQLLNU-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole?
The IUPAC name of 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole (CID 121390649) is 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole.
What is the SMILES notation for 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole?
The canonical SMILES for 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole is CCc1nn(CC)c2c1CCC2(C)C.
What is the InChIKey of 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole?
The InChIKey is MDARFVKDMQLLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-10-9-7-8-12(3,4)11(9)14(6-2)13-10/h5-8H2,1-4H3.
What are the key properties of 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole?
1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole has a molecular weight of 192.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole is sourced from PubChem (CID 121390649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).