6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one

C14H15N3O2 — CID 171706136

IUPAC6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one
SMILESCOc1nn(C)cc1-c1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C14H15N3O2/c1-16-7-10-5-4-9(6-11(10)14(16)18)12-8-17(2)15-13(12)19-3/h4-6,8H,7H2,1-3H3
InChIKeyBSAQZYOKHNZUIN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.68
Rot. Bonds2

About 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one

6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one (PubChem CID 171706136) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one
PubChem CID171706136
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one
SMILESCOc1nn(C)cc1-c1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C14H15N3O2/c1-16-7-10-5-4-9(6-11(10)14(16)18)12-8-17(2)15-13(12)19-3/h4-6,8H,7H2,1-3H3
InChIKeyBSAQZYOKHNZUIN-UHFFFAOYSA-N
XLogP1.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
CID 117357788
6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
CID 165395830
4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143510190
methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate
CID 171678578
2-methyl-6-sulfanyl-3H-isoindol-1-one
CID 146588374
6-tert-butyl-2-methyl-3H-isoindol-1-one
CID 58124079
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233
6-(aminomethyl)-2-methyl-3H-isoindol-1-one
CID 83816625
3-(2-methyl-3-oxo-1H-isoindol-5-yl)propanal
CID 117291557
2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 71177037
5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one
CID 163306584
6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
CID 70886803

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one (CID 171706136) is 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one is COc1nn(C)cc1-c1ccc2c(c1)C(=O)N(C)C2.
What is the InChIKey of 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one?
The InChIKey is BSAQZYOKHNZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-7-10-5-4-9(6-11(10)14(16)18)12-8-17(2)15-13(12)19-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one?
6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one has a molecular weight of 257.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 171706136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).