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

C16H21N3 — CID 104694884

IUPACN-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCn1cc(C(C)NC2Cc3ccccc3C2)cn1
InChIInChI=1S/C16H21N3/c1-3-19-11-15(10-17-19)12(2)18-16-8-13-6-4-5-7-14(13)9-16/h4-7,10-12,16,18H,3,8-9H2,1-2H3
InChIKeyBHLFBRQULSYPHQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.72
Rot. Bonds4

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

N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 104694884) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID104694884
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCn1cc(C(C)NC2Cc3ccccc3C2)cn1
InChIInChI=1S/C16H21N3/c1-3-19-11-15(10-17-19)12(2)18-16-8-13-6-4-5-7-14(13)9-16/h4-7,10-12,16,18H,3,8-9H2,1-2H3
InChIKeyBHLFBRQULSYPHQ-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849918
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81348211
N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
CID 63012963
3-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890826
3-ethyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methylcyclopentan-1-amine
CID 64923128
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 64984223
2-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]oxolan-3-amine
CID 113349326
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757
N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 104694894
(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404494
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 104694884) is N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is CCn1cc(C(C)NC2Cc3ccccc3C2)cn1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is BHLFBRQULSYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19-11-15(10-17-19)12(2)18-16-8-13-6-4-5-7-14(13)9-16/h4-7,10-12,16,18H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 104694884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).