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

C15H18FN3 — CID 103932631

IUPAC3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H18FN3/c1-3-13-15(9-19(2)18-13)17-14-7-4-10-8-11(16)5-6-12(10)14/h5-6,8-9,14,17H,3-4,7H2,1-2H3
InChIKeyATCLLXIIJXPDKA-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.22
Rot. Bonds3

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

3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine (PubChem CID 103932631) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine
PubChem CID103932631
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H18FN3/c1-3-13-15(9-19(2)18-13)17-14-7-4-10-8-11(16)5-6-12(10)14/h5-6,8-9,14,17H,3-4,7H2,1-2H3
InChIKeyATCLLXIIJXPDKA-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 124681098
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107462778
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530961
3-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 107462852
N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531137
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol
CID 116530980
2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 133371682
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine (CID 103932631) is 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC1CCc2cc(F)ccc21.
What is the InChIKey of 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine?
The InChIKey is ATCLLXIIJXPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-13-15(9-19(2)18-13)17-14-7-4-10-8-11(16)5-6-12(10)14/h5-6,8-9,14,17H,3-4,7H2,1-2H3.
What are the key properties of 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine?
3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103932631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).