2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 19585482

IUPAC2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCn1nccc1C(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15(20)21/h8-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQEOBQTGKXWURIL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 19585482) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID19585482
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCn1nccc1C(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15(20)21/h8-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQEOBQTGKXWURIL-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 19585482) is 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCn1nccc1C(C)NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QEOBQTGKXWURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15(20)21/h8-12H,3-7H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19585482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).