4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 43341497

IUPAC4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C(C)n2cccn2)(C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-3-12-5-7-15(8-6-12,14(20)21)17-13(19)11(2)18-10-4-9-16-18/h4,9-12H,3,5-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYKNRZZWMDOYCDZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.98
Rot. Bonds5

About 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 43341497) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID43341497
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C(C)n2cccn2)(C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-3-12-5-7-15(8-6-12,14(20)21)17-13(19)11(2)18-10-4-9-16-18/h4,9-12H,3,5-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYKNRZZWMDOYCDZ-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (CID 43341497) is 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)C(C)n2cccn2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is YKNRZZWMDOYCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-12-5-7-15(8-6-12,14(20)21)17-13(19)11(2)18-10-4-9-16-18/h4,9-12H,3,5-8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).