(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

C15H18FN3 — CID 97229636

IUPAC(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)[C@H](NCCCn1cccn1)CC2
InChIInChI=1S/C15H18FN3/c16-13-5-3-12-4-6-15(14(12)11-13)17-7-1-9-19-10-2-8-18-19/h2-3,5,8,10-11,15,17H,1,4,6-7,9H2/t15-/m1/s1
InChIKeyQCQFGTYWDZNZJS-OAHLLOKOSA-N
MW259.33 g/mol
LogP2.69
Rot. Bonds5

About (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 97229636) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID97229636
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)[C@H](NCCCn1cccn1)CC2
InChIInChI=1S/C15H18FN3/c16-13-5-3-12-4-6-15(14(12)11-13)17-7-1-9-19-10-2-8-18-19/h2-3,5,8,10-11,15,17H,1,4,6-7,9H2/t15-/m1/s1
InChIKeyQCQFGTYWDZNZJS-OAHLLOKOSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 97229636) is (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)[C@H](NCCCn1cccn1)CC2.
What is the InChIKey of (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QCQFGTYWDZNZJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18FN3/c16-13-5-3-12-4-6-15(14(12)11-13)17-7-1-9-19-10-2-8-18-19/h2-3,5,8,10-11,15,17H,1,4,6-7,9H2/t15-/m1/s1.
What are the key properties of (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 259.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 97229636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).