[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine

C15H20N4O — CID 82545386

IUPAC[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1cccc2c1CN(Cc1cnn(C)c1)C2CN
InChIInChI=1S/C15H20N4O/c1-18-8-11(7-17-18)9-19-10-13-12(14(19)6-16)4-3-5-15(13)20-2/h3-5,7-8,14H,6,9-10,16H2,1-2H3
InChIKeyMIFOXLSWFMKNLI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.44
Rot. Bonds4

About [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine

[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545386) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545386
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1cccc2c1CN(Cc1cnn(C)c1)C2CN
InChIInChI=1S/C15H20N4O/c1-18-8-11(7-17-18)9-19-10-13-12(14(19)6-16)4-3-5-15(13)20-2/h3-5,7-8,14H,6,9-10,16H2,1-2H3
InChIKeyMIFOXLSWFMKNLI-UHFFFAOYSA-N
XLogP1.44
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 82544729
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine
CID 110449575
(2S)-2-(2-methoxyphenyl)-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 42420208
[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545606
(2-pentyl-4-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450218
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449570
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 82545386) is [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is COc1cccc2c1CN(Cc1cnn(C)c1)C2CN.
What is the InChIKey of [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is MIFOXLSWFMKNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-8-11(7-17-18)9-19-10-13-12(14(19)6-16)4-3-5-15(13)20-2/h3-5,7-8,14H,6,9-10,16H2,1-2H3.
What are the key properties of [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).