5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C14H16FN3 — CID 103905296

IUPAC5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(F)ccc21)c1cn[nH]c1
InChIInChI=1S/C14H16FN3/c1-9(11-7-16-17-8-11)18-14-5-2-10-6-12(15)3-4-13(10)14/h3-4,6-9,14,18H,2,5H2,1H3,(H,16,17)
InChIKeyDBGDIBWQEFRSFY-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.89
Rot. Bonds3

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

5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103905296) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103905296
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(F)ccc21)c1cn[nH]c1
InChIInChI=1S/C14H16FN3/c1-9(11-7-16-17-8-11)18-14-5-2-10-6-12(15)3-4-13(10)14/h3-4,6-9,14,18H,2,5H2,1H3,(H,16,17)
InChIKeyDBGDIBWQEFRSFY-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61070069
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103905307
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81369563
N-[1-(1H-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 113349222
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708438
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103779432
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103905296) is 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2cc(F)ccc21)c1cn[nH]c1.
What is the InChIKey of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DBGDIBWQEFRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9(11-7-16-17-8-11)18-14-5-2-10-6-12(15)3-4-13(10)14/h3-4,6-9,14,18H,2,5H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103905296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).