4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid

C14H22N2O2 — CID 81021302

IUPAC4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2ccnn2CC)C1
InChIInChI=1S/C14H22N2O2/c1-3-10-5-6-11(14(17)18)12(9-10)13-7-8-15-16(13)4-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLNHKYCXNZYPKHU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.90
Rot. Bonds4

About 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid

4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 81021302) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID81021302
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2ccnn2CC)C1
InChIInChI=1S/C14H22N2O2/c1-3-10-5-6-11(14(17)18)12(9-10)13-7-8-15-16(13)4-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLNHKYCXNZYPKHU-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid (CID 81021302) is 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(c2ccnn2CC)C1.
What is the InChIKey of 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is LNHKYCXNZYPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10-5-6-11(14(17)18)12(9-10)13-7-8-15-16(13)4-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid?
4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).