2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid

C11H17N3O2 — CID 103263462

IUPAC2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCCn1cccn1
InChIInChI=1S/C11H17N3O2/c15-11(16)9-3-4-10(9)12-5-1-7-14-8-2-6-13-14/h2,6,8-10,12H,1,3-5,7H2,(H,15,16)
InChIKeyRRRFDQVFMBXVQF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.73
Rot. Bonds6

About 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid

2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid (PubChem CID 103263462) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
PubChem CID103263462
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCCn1cccn1
InChIInChI=1S/C11H17N3O2/c15-11(16)9-3-4-10(9)12-5-1-7-14-8-2-6-13-14/h2,6,8-10,12H,1,3-5,7H2,(H,15,16)
InChIKeyRRRFDQVFMBXVQF-UHFFFAOYSA-N
XLogP0.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 91636175
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
4-hydroxy-4-[(3-pyrazol-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499734
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid (CID 103263462) is 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCCCn1cccn1.
What is the InChIKey of 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid?
The InChIKey is RRRFDQVFMBXVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(16)9-3-4-10(9)12-5-1-7-14-8-2-6-13-14/h2,6,8-10,12H,1,3-5,7H2,(H,15,16).
What are the key properties of 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid?
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103263462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).