7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one

C13H11N3O — CID 122556149

IUPAC7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one
SMILESCc1cc(-c2ccc3cc[nH]c(=O)c3c2)n[nH]1
InChIInChI=1S/C13H11N3O/c1-8-6-12(16-15-8)10-3-2-9-4-5-14-13(17)11(9)7-10/h2-7H,1H3,(H,14,17)(H,15,16)
InChIKeyIYBPEBNUUHYYQT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.23
Rot. Bonds1

About 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one

7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one (PubChem CID 122556149) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one
PubChem CID122556149
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one
SMILESCc1cc(-c2ccc3cc[nH]c(=O)c3c2)n[nH]1
InChIInChI=1S/C13H11N3O/c1-8-6-12(16-15-8)10-3-2-9-4-5-14-13(17)11(9)7-10/h2-7H,1H3,(H,14,17)(H,15,16)
InChIKeyIYBPEBNUUHYYQT-UHFFFAOYSA-N
XLogP2.23
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
N-methyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20954266
6-(2-aminoethyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982356
6-(3-aminopropyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443521
(R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)methyl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 51346849
3-[5-(4-cyclopropylaminomethylphenyl)-1H-pyrazol-3-yl]-N-isopropylbenzamide
CID 53324184
4-(1-(5-(3,4-dimethyl-1H-pyrazol-5-yl)-2,4-dimethylbenzoyl)azetidin-3-yl)benzonitrile
CID 72947731
N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 118959947
3-naphthalen-2-yl-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027994
4-(aminomethyl)-6-(1,5-dimethylpyrazol-4-yl)-2H-phthalazin-1-one
CID 156151694
2-[3-(3,4-Dimethylphenyl)-1H-pyrazole-5-carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 20918348
N-isopropyl-3-(5-{4-[(2-methoxyethylamino)methyl]phenyl}-1H-pyrazol-3-yl)benzamide
CID 53322862

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one?
The IUPAC name of 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one (CID 122556149) is 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one.
What is the SMILES notation for 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one?
The canonical SMILES for 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one is Cc1cc(-c2ccc3cc[nH]c(=O)c3c2)n[nH]1.
What is the InChIKey of 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one?
The InChIKey is IYBPEBNUUHYYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-6-12(16-15-8)10-3-2-9-4-5-14-13(17)11(9)7-10/h2-7H,1H3,(H,14,17)(H,15,16).
What are the key properties of 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one?
7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one has a molecular weight of 225.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1H-pyrazol-3-yl)-2H-isoquinolin-1-one is sourced from PubChem (CID 122556149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).