5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one

C20H16FN3O2 — CID 139467257

IUPAC5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one
SMILESC#Cc1ccc(=O)n(CC(=O)c2cc(C)n(Cc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H16FN3O2/c1-3-15-6-9-20(26)23(11-15)13-19(25)18-10-14(2)24(22-18)12-16-4-7-17(21)8-5-16/h1,4-11H,12-13H2,2H3
InChIKeyOYWVRVFUKLPNOU-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.40
Rot. Bonds5

About 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one

5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 139467257) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one
PubChem CID139467257
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one
SMILESC#Cc1ccc(=O)n(CC(=O)c2cc(C)n(Cc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H16FN3O2/c1-3-15-6-9-20(26)23(11-15)13-19(25)18-10-14(2)24(22-18)12-16-4-7-17(21)8-5-16/h1,4-11H,12-13H2,2H3
InChIKeyOYWVRVFUKLPNOU-UHFFFAOYSA-N
XLogP2.40
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41248002
1-[(4-bromophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82307972
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 162444700
1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167
1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 90351323
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
N-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-phenoxyacetamide
CID 6459561
N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213307
1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-2-ylpyridazine-3-carboxamide
CID 30859072

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one (CID 139467257) is 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one is C#Cc1ccc(=O)n(CC(=O)c2cc(C)n(Cc3ccc(F)cc3)n2)c1.
What is the InChIKey of 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is OYWVRVFUKLPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-3-15-6-9-20(26)23(11-15)13-19(25)18-10-14(2)24(22-18)12-16-4-7-17(21)8-5-16/h1,4-11H,12-13H2,2H3.
What are the key properties of 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one?
5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 349.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 139467257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).