N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine

C15H18FN3O2S — CID 71922448

IUPACN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine
SMILESCS(=O)(=O)CCn1ccc(NC2CCc3ccc(F)cc32)n1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)9-8-19-7-6-15(18-19)17-14-5-3-11-2-4-12(16)10-13(11)14/h2,4,6-7,10,14H,3,5,8-9H2,1H3,(H,17,18)
InChIKeyUYNMRURSYFGZIF-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.17
Rot. Bonds5

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

N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine (PubChem CID 71922448) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine
PubChem CID71922448
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine
SMILESCS(=O)(=O)CCn1ccc(NC2CCc3ccc(F)cc32)n1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)9-8-19-7-6-15(18-19)17-14-5-3-11-2-4-12(16)10-13(11)14/h2,4,6-7,10,14H,3,5,8-9H2,1H3,(H,17,18)
InChIKeyUYNMRURSYFGZIF-UHFFFAOYSA-N
XLogP2.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine (CID 71922448) is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine.
What is the SMILES notation for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The canonical SMILES for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine is CS(=O)(=O)CCn1ccc(NC2CCc3ccc(F)cc32)n1.
What is the InChIKey of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The InChIKey is UYNMRURSYFGZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-22(20,21)9-8-19-7-6-15(18-19)17-14-5-3-11-2-4-12(16)10-13(11)14/h2,4,6-7,10,14H,3,5,8-9H2,1H3,(H,17,18).
What are the key properties of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine?
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine has a molecular weight of 323.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methylsulfonylethyl)pyrazol-3-amine is sourced from PubChem (CID 71922448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).