2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide

C15H15N3O3 — CID 67948812

IUPAC2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c3ccccc3occ-2c1=O
InChIInChI=1S/C15H15N3O3/c1-2-7-16-13(19)8-18-15(20)11-9-21-12-6-4-3-5-10(12)14(11)17-18/h3-6,9H,2,7-8H2,1H3,(H,16,19)
InChIKeyCAESALIIRZYINV-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.62
Rot. Bonds4

About 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide

2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide (PubChem CID 67948812) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide
PubChem CID67948812
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c3ccccc3occ-2c1=O
InChIInChI=1S/C15H15N3O3/c1-2-7-16-13(19)8-18-15(20)11-9-21-12-6-4-3-5-10(12)14(11)17-18/h3-6,9H,2,7-8H2,1H3,(H,16,19)
InChIKeyCAESALIIRZYINV-UHFFFAOYSA-N
XLogP1.62
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide?
The IUPAC name of 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide (CID 67948812) is 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide is CCCNC(=O)Cn1nc2c3ccccc3occ-2c1=O.
What is the InChIKey of 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide?
The InChIKey is CAESALIIRZYINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-7-16-13(19)8-18-15(20)11-9-21-12-6-4-3-5-10(12)14(11)17-18/h3-6,9H,2,7-8H2,1H3,(H,16,19).
What are the key properties of 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide?
2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide has a molecular weight of 285.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxochromeno[4,3-c]pyrazol-2-yl)-N-propylacetamide is sourced from PubChem (CID 67948812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).