N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide

C23H23N3O4 — CID 55712399

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)=C2
InChIInChI=1S/C23H23N3O4/c1-4-29-19-12-8-9-16-13-17(14-30-21(16)19)22(27)24-20-15(2)25(3)26(23(20)28)18-10-6-5-7-11-18/h5-13H,4,14H2,1-3H3,(H,24,27)
InChIKeyHJRRLTGIVZEESO-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.30
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide (PubChem CID 55712399) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide
PubChem CID55712399
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)=C2
InChIInChI=1S/C23H23N3O4/c1-4-29-19-12-8-9-16-13-17(14-30-21(16)19)22(27)24-20-15(2)25(3)26(23(20)28)18-10-6-5-7-11-18/h5-13H,4,14H2,1-3H3,(H,24,27)
InChIKeyHJRRLTGIVZEESO-UHFFFAOYSA-N
XLogP3.30
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
CID 1043889
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethoxy-3-methoxybenzamide
CID 26499954
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
CID 26909003
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethoxy-4-methoxybenzamide
CID 17458410
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
CID 55759749
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
8-ethoxy-N-[2-(N-methylanilino)propyl]-2H-chromene-3-carboxamide
CID 55718017
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-formylphenoxy)acetamide
CID 7763073
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 51310773
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 35807805
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46481547

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide (CID 55712399) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)=C2.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is HJRRLTGIVZEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-4-29-19-12-8-9-16-13-17(14-30-21(16)19)22(27)24-20-15(2)25(3)26(23(20)28)18-10-6-5-7-11-18/h5-13H,4,14H2,1-3H3,(H,24,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 55712399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).