1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid

C11H15N3O3 — CID 62096262

IUPAC1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCn2cccn2)CCC1
InChIInChI=1S/C11H15N3O3/c15-9(11(10(16)17)3-1-4-11)12-6-8-14-7-2-5-13-14/h2,5,7H,1,3-4,6,8H2,(H,12,15)(H,16,17)
InChIKeyIPLVYKWUZXHXBQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.25
Rot. Bonds5

About 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid

1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 62096262) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID62096262
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCn2cccn2)CCC1
InChIInChI=1S/C11H15N3O3/c15-9(11(10(16)17)3-1-4-11)12-6-8-14-7-2-5-13-14/h2,5,7H,1,3-4,6,8H2,(H,12,15)(H,16,17)
InChIKeyIPLVYKWUZXHXBQ-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61461432
1-carbamothioyl-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589627
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
2-(1-aminocyclopentyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 64677819
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071140
1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80587901
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 62096262) is 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NCCn2cccn2)CCC1.
What is the InChIKey of 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is IPLVYKWUZXHXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9(11(10(16)17)3-1-4-11)12-6-8-14-7-2-5-13-14/h2,5,7H,1,3-4,6,8H2,(H,12,15)(H,16,17).
What are the key properties of 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).