N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide

C20H16ClN3O4 — CID 118724365

IUPACN-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)C(C)n2ncc3c(=O)oc4ccccc4c32)ccc1Cl
InChIInChI=1S/C20H16ClN3O4/c1-11(19(25)23-12-7-8-15(21)17(9-12)27-2)24-18-13-5-3-4-6-16(13)28-20(26)14(18)10-22-24/h3-11H,1-2H3,(H,23,25)
InChIKeyRPUUERRTFZTESM-UHFFFAOYSA-N
MW397.82 g/mol
LogP4.00
Rot. Bonds4

About N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide

N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide (PubChem CID 118724365) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide
PubChem CID118724365
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)C(C)n2ncc3c(=O)oc4ccccc4c32)ccc1Cl
InChIInChI=1S/C20H16ClN3O4/c1-11(19(25)23-12-7-8-15(21)17(9-12)27-2)24-18-13-5-3-4-6-16(13)28-20(26)14(18)10-22-24/h3-11H,1-2H3,(H,23,25)
InChIKeyRPUUERRTFZTESM-UHFFFAOYSA-N
XLogP4.00
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide 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

N-(3,4-dimethoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855479
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
CID 95119018
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062265
N-(3-chlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6622016
N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4899863
(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
CID 95118182
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-oxochromene-2-carboxylate
CID 2417094
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20855538
(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
CID 26020802
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4560795

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide (CID 118724365) is N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide is COc1cc(NC(=O)C(C)n2ncc3c(=O)oc4ccccc4c32)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide?
The InChIKey is RPUUERRTFZTESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c1-11(19(25)23-12-7-8-15(21)17(9-12)27-2)24-18-13-5-3-4-6-16(13)28-20(26)14(18)10-22-24/h3-11H,1-2H3,(H,23,25).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide?
N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide has a molecular weight of 397.82 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide is sourced from PubChem (CID 118724365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).