2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C16H24N4 — CID 83213217

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCc1cc(Cn2cc3c(c2)C(NC)CCC3)n(C)n1
InChIInChI=1S/C16H24N4/c1-4-13-8-14(19(3)18-13)10-20-9-12-6-5-7-16(17-2)15(12)11-20/h8-9,11,16-17H,4-7,10H2,1-3H3
InChIKeyBRDDLOSHUZBHSS-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.43
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213217) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213217
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCc1cc(Cn2cc3c(c2)C(NC)CCC3)n(C)n1
InChIInChI=1S/C16H24N4/c1-4-13-8-14(19(3)18-13)10-20-9-12-6-5-7-16(17-2)15(12)11-20/h8-9,11,16-17H,4-7,10H2,1-3H3
InChIKeyBRDDLOSHUZBHSS-UHFFFAOYSA-N
XLogP2.43
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine with MolForge

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Related Compounds

N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213481
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83210929
N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212983
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210816
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208353
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208070
N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214574
2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213581
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212147
2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214487

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213217) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CCc1cc(Cn2cc3c(c2)C(NC)CCC3)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is BRDDLOSHUZBHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-13-8-14(19(3)18-13)10-20-9-12-6-5-7-16(17-2)15(12)11-20/h8-9,11,16-17H,4-7,10H2,1-3H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 272.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).