[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine

C18H20N4 — CID 82544729

IUPAC[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
SMILESCn1cc(CN2Cc3c(ccc4ccccc34)C2CN)cn1
InChIInChI=1S/C18H20N4/c1-21-10-13(9-20-21)11-22-12-17-15-5-3-2-4-14(15)6-7-16(17)18(22)8-19/h2-7,9-10,18H,8,11-12,19H2,1H3
InChIKeyQYCZWNXBNXUMCJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.59
Rot. Bonds3

About [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine

[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine (PubChem CID 82544729) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
PubChem CID82544729
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
SMILESCn1cc(CN2Cc3c(ccc4ccccc34)C2CN)cn1
InChIInChI=1S/C18H20N4/c1-21-10-13(9-20-21)11-22-12-17-15-5-3-2-4-14(15)6-7-16(17)18(22)8-19/h2-7,9-10,18H,8,11-12,19H2,1H3
InChIKeyQYCZWNXBNXUMCJ-UHFFFAOYSA-N
XLogP2.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545386
4-[[3-(aminomethyl)-1,3-dihydrobenzo[e]isoindol-2-yl]methyl]-N,N-dimethylaniline
CID 110449763
(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine
CID 82544746
1-[(1-methylpyrazol-4-yl)methyl]indole
CID 55238822
(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
(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 124814278
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736
[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545621
2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417346
(3aS,6aR)-4-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459159

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
The IUPAC name of [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine (CID 82544729) is [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine.
What is the SMILES notation for [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
The canonical SMILES for [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine is Cn1cc(CN2Cc3c(ccc4ccccc34)C2CN)cn1.
What is the InChIKey of [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
The InChIKey is QYCZWNXBNXUMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-10-13(9-20-21)11-22-12-17-15-5-3-2-4-14(15)6-7-16(17)18(22)8-19/h2-7,9-10,18H,8,11-12,19H2,1H3.
What are the key properties of [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine is sourced from PubChem (CID 82544729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).