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

C15H22N4 — CID 83214574

IUPACN-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3ccn(C)n3)cc21
InChIInChI=1S/C15H22N4/c1-3-16-15-6-4-5-12-9-19(11-14(12)15)10-13-7-8-18(2)17-13/h7-9,11,15-16H,3-6,10H2,1-2H3
InChIKeyLYWQLTSBOKLVLH-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.26
Rot. Bonds4

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

N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83214574) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83214574
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(Cc3ccn(C)n3)cc21
InChIInChI=1S/C15H22N4/c1-3-16-15-6-4-5-12-9-19(11-14(12)15)10-13-7-8-18(2)17-13/h7-9,11,15-16H,3-6,10H2,1-2H3
InChIKeyLYWQLTSBOKLVLH-UHFFFAOYSA-N
XLogP2.26
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83214574) is N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is CCNC1CCCc2cn(Cc3ccn(C)n3)cc21.
What is the InChIKey of N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is LYWQLTSBOKLVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-16-15-6-4-5-12-9-19(11-14(12)15)10-13-7-8-18(2)17-13/h7-9,11,15-16H,3-6,10H2,1-2H3.
What are the key properties of N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 258.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83214574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).