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

C16H20FN3 — CID 78989792

IUPAC4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(C)c1CNC1CCc2c(F)cccc21
InChIInChI=1S/C16H20FN3/c1-10-14(11(2)20(3)19-10)9-18-16-8-7-12-13(16)5-4-6-15(12)17/h4-6,16,18H,7-9H2,1-3H3
InChIKeyYCFBACAIZUOWJG-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.95
Rot. Bonds3

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

4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 78989792) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID78989792
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(C)c1CNC1CCc2c(F)cccc21
InChIInChI=1S/C16H20FN3/c1-10-14(11(2)20(3)19-10)9-18-16-8-7-12-13(16)5-4-6-15(12)17/h4-6,16,18H,7-9H2,1-3H3
InChIKeyYCFBACAIZUOWJG-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 95141533
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 106368996
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83065642
4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83065500
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 94822388
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789
4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79483751

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 78989792) is 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1nn(C)c(C)c1CNC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YCFBACAIZUOWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-10-14(11(2)20(3)19-10)9-18-16-8-7-12-13(16)5-4-6-15(12)17/h4-6,16,18H,7-9H2,1-3H3.
What are the key properties of 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78989792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).