2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one

C13H11N3O — CID 50984941

IUPAC2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-n3cccn3)c2[nH]1
InChIInChI=1S/C13H11N3O/c1-9-8-12(17)10-4-2-5-11(13(10)15-9)16-7-3-6-14-16/h2-8H,1H3,(H,15,17)
InChIKeyZVYDCROVLKRANB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.02
Rot. Bonds1

About 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one

2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one (PubChem CID 50984941) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one
PubChem CID50984941
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-n3cccn3)c2[nH]1
InChIInChI=1S/C13H11N3O/c1-9-8-12(17)10-4-2-5-11(13(10)15-9)16-7-3-6-14-16/h2-8H,1H3,(H,15,17)
InChIKeyZVYDCROVLKRANB-UHFFFAOYSA-N
XLogP2.02
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15271398
ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
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7-chloro-8-fluoro-2-methyl-1H-quinolin-4-one
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2-methyl-6-pyrazol-1-ylbenzoic acid
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1-(2,4-dimethylphenyl)pyrazole
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1-(2,3-dimethoxyphenyl)pyrazole
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N,2-dimethyl-3-pyrazol-1-ylbenzamide
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4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
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2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
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CID 136633330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one?
The IUPAC name of 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one (CID 50984941) is 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one is Cc1cc(=O)c2cccc(-n3cccn3)c2[nH]1.
What is the InChIKey of 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one?
The InChIKey is ZVYDCROVLKRANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-8-12(17)10-4-2-5-11(13(10)15-9)16-7-3-6-14-16/h2-8H,1H3,(H,15,17).
What are the key properties of 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one?
2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 50984941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).