N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide

C15H13N3O4 — CID 32603710

IUPACN-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCn1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)cn1
InChIInChI=1S/C15H13N3O4/c1-18-8-11(7-16-18)17-14(19)9-21-12-4-2-10-3-5-15(20)22-13(10)6-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeyGSQBXAQFMDTRQK-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.54
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 32603710) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID32603710
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCn1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)cn1
InChIInChI=1S/C15H13N3O4/c1-18-8-11(7-16-18)17-14(19)9-21-12-4-2-10-3-5-15(20)22-13(10)6-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeyGSQBXAQFMDTRQK-UHFFFAOYSA-N
XLogP1.54
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide 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-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 34442404
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46616354
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8882835
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 32610322
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705142
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26881258

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 32603710) is N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide is Cn1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is GSQBXAQFMDTRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-18-8-11(7-16-18)17-14(19)9-21-12-4-2-10-3-5-15(20)22-13(10)6-12/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 299.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 32603710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).