7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one

C19H17N3O2 — CID 90167325

IUPAC7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
SMILESCn1cc(-c2ccc(CN3Cc4cccc(O)c4C3=O)cc2)cn1
InChIInChI=1S/C19H17N3O2/c1-21-11-16(9-20-21)14-7-5-13(6-8-14)10-22-12-15-3-2-4-17(23)18(15)19(22)24/h2-9,11,23H,10,12H2,1H3
InChIKeyKUEKBCZNCVMVBP-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.95
Rot. Bonds3

About 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one

7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 90167325) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
PubChem CID90167325
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
SMILESCn1cc(-c2ccc(CN3Cc4cccc(O)c4C3=O)cc2)cn1
InChIInChI=1S/C19H17N3O2/c1-21-11-16(9-20-21)14-7-5-13(6-8-14)10-22-12-15-3-2-4-17(23)18(15)19(22)24/h2-9,11,23H,10,12H2,1H3
InChIKeyKUEKBCZNCVMVBP-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 31953145
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47466877
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 72010284
2-[1-(2-Hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 84593854
(2-Fluoro-5-hydroxy-4-methylphenyl)-[6-[4-methyl-5-(2-methylphenyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 172156227
(2-Fluoro-5-hydroxy-4-methylphenyl)-[6-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 172156287
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-hydroxy-3,5-diisopropyl-N-methylbenzamide
CID 91769825
1-hydroxy-N-methyl-N-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 136530564
4-fluoro-7-hydroxy-2-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 90167072
6-fluoro-7-hydroxy-2-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 90167075
7-[(1S,2S)-4,4-difluoro-2-hydroxycyclohexyl]oxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
CID 90167257
3,5-difluoro-2-[[2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-oxo-1H-isoindol-4-yl]oxy]benzonitrile
CID 90167383

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one (CID 90167325) is 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one is Cn1cc(-c2ccc(CN3Cc4cccc(O)c4C3=O)cc2)cn1.
What is the InChIKey of 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is KUEKBCZNCVMVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21-11-16(9-20-21)14-7-5-13(6-8-14)10-22-12-15-3-2-4-17(23)18(15)19(22)24/h2-9,11,23H,10,12H2,1H3.
What are the key properties of 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one?
7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 319.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 90167325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).