2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid

C11H16N2O2 — CID 45094879

IUPAC2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid
SMILESCCn1nc2c(c1C(=O)O)CCC2(C)C
InChIInChI=1S/C11H16N2O2/c1-4-13-8(10(14)15)7-5-6-11(2,3)9(7)12-13/h4-6H2,1-3H3,(H,14,15)
InChIKeyPNHNPSKIGBDXDP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.83
Rot. Bonds2

About 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid

2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid (PubChem CID 45094879) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid
PubChem CID45094879
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid
SMILESCCn1nc2c(c1C(=O)O)CCC2(C)C
InChIInChI=1S/C11H16N2O2/c1-4-13-8(10(14)15)7-5-6-11(2,3)9(7)12-13/h4-6H2,1-3H3,(H,14,15)
InChIKeyPNHNPSKIGBDXDP-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid?
The IUPAC name of 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid (CID 45094879) is 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid is CCn1nc2c(c1C(=O)O)CCC2(C)C.
What is the InChIKey of 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid?
The InChIKey is PNHNPSKIGBDXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-13-8(10(14)15)7-5-6-11(2,3)9(7)12-13/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid?
2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 45094879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).