5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H23N3O — CID 107683366

IUPAC5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCn1nc(C)cc1COc1ccc2c(c1)CCC2NC
InChIInChI=1S/C17H23N3O/c1-4-20-14(9-12(2)19-20)11-21-15-6-7-16-13(10-15)5-8-17(16)18-3/h6-7,9-10,17-18H,4-5,8,11H2,1-3H3
InChIKeyUKJZSWDOZVNCIO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds5

About 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683366) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107683366
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCn1nc(C)cc1COc1ccc2c(c1)CCC2NC
InChIInChI=1S/C17H23N3O/c1-4-20-14(9-12(2)19-20)11-21-15-6-7-16-13(10-15)5-8-17(16)18-3/h6-7,9-10,17-18H,4-5,8,11H2,1-3H3
InChIKeyUKJZSWDOZVNCIO-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 107683366) is 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is CCn1nc(C)cc1COc1ccc2c(c1)CCC2NC.
What is the InChIKey of 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UKJZSWDOZVNCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20-14(9-12(2)19-20)11-21-15-6-7-16-13(10-15)5-8-17(16)18-3/h6-7,9-10,17-18H,4-5,8,11H2,1-3H3.
What are the key properties of 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).