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

C19H14ClN3O4 — CID 73332002

IUPACN-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)ccc1Cl
InChIInChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24)
InChIKeyDJHSRZJOSYWGCG-UHFFFAOYSA-N
MW383.79 g/mol
LogP3.44
Rot. Bonds4

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

N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 73332002) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID73332002
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)ccc1Cl
InChIInChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24)
InChIKeyDJHSRZJOSYWGCG-UHFFFAOYSA-N
XLogP3.44
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 5309292
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855484
N-(3,4-dichlorophenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
CID 89031602
N-(4-fluorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 3473530
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
CID 5307131
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307334
2-{4-Oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16020136
N-(3-methoxybenzyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide
CID 16020178
2-{4-Oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-[4-(trifluoromethyl)phenyl]acetamide
CID 20855482
N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)propanamide
CID 118724365
N-(4-chloro-3-methoxyphenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 118724367

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 73332002) is N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is COc1cc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is DJHSRZJOSYWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 383.79 g/mol, XLogP of 3.44, 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)acetamide is sourced from PubChem (CID 73332002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).