3-(pyrrolidin-3-yl)-1H-pyrazole

• ChemBase ID: 310164
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(cc[nH]1)C1CNCC1
• Canonical SMILES: C1NCC(C1)c1n[nH]cc1
• InChI: InChI=1S/C7H11N3/c1-3-8-5-6(1)7-2-4-9-10-7/h2,4,6,8H,1,3,5H2,(H,9,10)
• InChIKey: NQUKCXGPCOPNRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-3-yl)-1H-pyrazole
• IUPAC Traditional name: 3-(pyrrolidin-3-yl)-1H-pyrazole
• Synonyms: 3-(3-pyrrolidinyl)-1H-pyrazole

Database IDs

• CAS Number: 1225218-82-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.012053
• LogD (pH = 7.4): -2.678803
• Log P: 0.22371666
• Molar Refractivity: 40.0135 cm^3
• Polarizability: 15.216801 Å^3
• Polar Surface Area: 40.71 Å^2