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

C19H12F3N3O3 — CID 20855482

IUPAC2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F3N3O3/c20-19(21,22)11-5-7-12(8-6-11)24-16(26)10-25-17-13-3-1-2-4-15(13)28-18(27)14(17)9-23-25/h1-9H,10H2,(H,24,26)
InChIKeyRLBRAAKGUXMREA-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.80
Rot. Bonds3

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

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 20855482) has the molecular formula C19H12F3N3O3 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID20855482
Molecular FormulaC19H12F3N3O3
Molecular Weight387.32 g/mol
Exact Mass387.08
IUPAC Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F3N3O3/c20-19(21,22)11-5-7-12(8-6-11)24-16(26)10-25-17-13-3-1-2-4-15(13)28-18(27)14(17)9-23-25/h1-9H,10H2,(H,24,26)
InChIKeyRLBRAAKGUXMREA-UHFFFAOYSA-N
XLogP3.80
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 20855482) is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RLBRAAKGUXMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3/c20-19(21,22)11-5-7-12(8-6-11)24-16(26)10-25-17-13-3-1-2-4-15(13)28-18(27)14(17)9-23-25/h1-9H,10H2,(H,24,26).
What are the key properties of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 387.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20855482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).