(1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine

C16H20FN3 — CID 97066400

IUPAC(1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1[nH]ncc1CCCN[C@@H]1CCc2ccc(F)cc21
InChIInChI=1S/C16H20FN3/c1-11-13(10-19-20-11)3-2-8-18-16-7-5-12-4-6-14(17)9-15(12)16/h4,6,9-10,16,18H,2-3,5,7-8H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyIKWXTFYNJNJSOM-MRXNPFEDSA-N
MW273.35 g/mol
LogP3.07
Rot. Bonds5

About (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine

(1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 97066400) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID97066400
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name(1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1[nH]ncc1CCCN[C@@H]1CCc2ccc(F)cc21
InChIInChI=1S/C16H20FN3/c1-11-13(10-19-20-11)3-2-8-18-16-7-5-12-4-6-14(17)9-15(12)16/h4,6,9-10,16,18H,2-3,5,7-8H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyIKWXTFYNJNJSOM-MRXNPFEDSA-N
XLogP3.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine (CID 97066400) is (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine is Cc1[nH]ncc1CCCN[C@@H]1CCc2ccc(F)cc21.
What is the InChIKey of (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IKWXTFYNJNJSOM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11-13(10-19-20-11)3-2-8-18-16-7-5-12-4-6-14(17)9-15(12)16/h4,6,9-10,16,18H,2-3,5,7-8H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
(1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 97066400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).