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

C16H21N3O — CID 63091008

IUPACN-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCc3cnn(C)c3)cccc21
InChIInChI=1S/C16H21N3O/c1-3-17-15-8-7-14-13(15)5-4-6-16(14)20-11-12-9-18-19(2)10-12/h4-6,9-10,15,17H,3,7-8,11H2,1-2H3
InChIKeyNFYLGPPXBUUMRQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds5

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

N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 63091008) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID63091008
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCc3cnn(C)c3)cccc21
InChIInChI=1S/C16H21N3O/c1-3-17-15-8-7-14-13(15)5-4-6-16(14)20-11-12-9-18-19(2)10-12/h4-6,9-10,15,17H,3,7-8,11H2,1-2H3
InChIKeyNFYLGPPXBUUMRQ-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 63091008) is N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is CCNC1CCc2c(OCc3cnn(C)c3)cccc21.
What is the InChIKey of N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NFYLGPPXBUUMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-17-15-8-7-14-13(15)5-4-6-16(14)20-11-12-9-18-19(2)10-12/h4-6,9-10,15,17H,3,7-8,11H2,1-2H3.
What are the key properties of N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63091008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).