2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one

C19H17N3O — CID 57398520

IUPAC2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(N2C=c3ccccc3=CC2)c(=O)c1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14-18(16-8-3-2-4-9-16)19(23)22(20-14)21-12-11-15-7-5-6-10-17(15)13-21/h2-11,13,20H,12H2,1H3
InChIKeyGHIMVJDYIXDMTI-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.32
Rot. Bonds2

About 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one

2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one (PubChem CID 57398520) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
PubChem CID57398520
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(N2C=c3ccccc3=CC2)c(=O)c1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14-18(16-8-3-2-4-9-16)19(23)22(20-14)21-12-11-15-7-5-6-10-17(15)13-21/h2-11,13,20H,12H2,1H3
InChIKeyGHIMVJDYIXDMTI-UHFFFAOYSA-N
XLogP1.32
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one (CID 57398520) is 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one is Cc1[nH]n(N2C=c3ccccc3=CC2)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The InChIKey is GHIMVJDYIXDMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-18(16-8-3-2-4-9-16)19(23)22(20-14)21-12-11-15-7-5-6-10-17(15)13-21/h2-11,13,20H,12H2,1H3.
What are the key properties of 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one has a molecular weight of 303.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-isoquinolin-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 57398520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).