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

C14H20N4 — CID 83213481

IUPACN-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3ccn(C)n3)cc21
InChIInChI=1S/C14H20N4/c1-15-14-5-3-4-11-8-18(10-13(11)14)9-12-6-7-17(2)16-12/h6-8,10,14-15H,3-5,9H2,1-2H3
InChIKeyBMHDFYJFXRYCHP-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.87
Rot. Bonds3

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

N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213481) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213481
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3ccn(C)n3)cc21
InChIInChI=1S/C14H20N4/c1-15-14-5-3-4-11-8-18(10-13(11)14)9-12-6-7-17(2)16-12/h6-8,10,14-15H,3-5,9H2,1-2H3
InChIKeyBMHDFYJFXRYCHP-UHFFFAOYSA-N
XLogP1.87
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214574
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208070
N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212983
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213217
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
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210816
N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208066
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213581
4-[[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]methyl]benzonitrile
CID 83211319
5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile
CID 83207690

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213481) is N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(Cc3ccn(C)n3)cc21.
What is the InChIKey of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is BMHDFYJFXRYCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-15-14-5-3-4-11-8-18(10-13(11)14)9-12-6-7-17(2)16-12/h6-8,10,14-15H,3-5,9H2,1-2H3.
What are the key properties of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 244.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).