3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one

C25H18N2O4 — CID 11015098

IUPAC3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one
SMILESCC(=O)N1CC(c2coc3ccccc3c2=O)C(C(=O)c2cccc3ccccc23)=N1
InChIInChI=1S/C25H18N2O4/c1-15(28)27-13-20(21-14-31-22-12-5-4-10-19(22)24(21)29)23(26-27)25(30)18-11-6-8-16-7-2-3-9-17(16)18/h2-12,14,20H,13H2,1H3
InChIKeySNHMCKPWVJVSEA-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.13
Rot. Bonds3

About 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one

3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one (PubChem CID 11015098) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one.

Molecular Properties

Compound Name3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one
PubChem CID11015098
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one
SMILESCC(=O)N1CC(c2coc3ccccc3c2=O)C(C(=O)c2cccc3ccccc23)=N1
InChIInChI=1S/C25H18N2O4/c1-15(28)27-13-20(21-14-31-22-12-5-4-10-19(22)24(21)29)23(26-27)25(30)18-11-6-8-16-7-2-3-9-17(16)18/h2-12,14,20H,13H2,1H3
InChIKeySNHMCKPWVJVSEA-UHFFFAOYSA-N
XLogP4.13
TPSA79.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-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

6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
CID 91637202
(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone
CID 114282561
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
CID 132548795
3-[(1R,3S)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-1-yl]chromen-4-one
CID 127043821
1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone
CID 102480337
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024167
N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide
CID 42778105
3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
CID 90673468
3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one
CID 102496487
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301721

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one?
The IUPAC name of 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one (CID 11015098) is 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one.
What is the SMILES notation for 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one?
The canonical SMILES for 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one is CC(=O)N1CC(c2coc3ccccc3c2=O)C(C(=O)c2cccc3ccccc23)=N1.
What is the InChIKey of 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one?
The InChIKey is SNHMCKPWVJVSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c1-15(28)27-13-20(21-14-31-22-12-5-4-10-19(22)24(21)29)23(26-27)25(30)18-11-6-8-16-7-2-3-9-17(16)18/h2-12,14,20H,13H2,1H3.
What are the key properties of 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one?
3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one has a molecular weight of 410.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one is sourced from PubChem (CID 11015098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).