N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

C17H23N3 — CID 107851970

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCC(C)n1ccc(CNC2Cc3ccccc3C2)n1
InChIInChI=1S/C17H23N3/c1-3-13(2)20-9-8-16(19-20)12-18-17-10-14-6-4-5-7-15(14)11-17/h4-9,13,17-18H,3,10-12H2,1-2H3
InChIKeyLVINGYJKRNZENG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.11
Rot. Bonds5

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 107851970) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID107851970
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCC(C)n1ccc(CNC2Cc3ccccc3C2)n1
InChIInChI=1S/C17H23N3/c1-3-13(2)20-9-8-16(19-20)12-18-17-10-14-6-4-5-7-15(14)11-17/h4-9,13,17-18H,3,10-12H2,1-2H3
InChIKeyLVINGYJKRNZENG-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64801618
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(chloromethyl)cyclohexan-1-amine
CID 112752753
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 114121565
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,6-dichloroaniline
CID 65468826
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801541
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 64778428

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 107851970) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is CCC(C)n1ccc(CNC2Cc3ccccc3C2)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is LVINGYJKRNZENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-13(2)20-9-8-16(19-20)12-18-17-10-14-6-4-5-7-15(14)11-17/h4-9,13,17-18H,3,10-12H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107851970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).