N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide

C22H21N3O3 — CID 20873125

IUPACN-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C22H21N3O3/c1-15(2)24(13-16-8-4-3-5-9-16)20(26)14-25-21-17-10-6-7-11-19(17)28-22(27)18(21)12-23-25/h3-12,15H,13-14H2,1-2H3
InChIKeyPTIGWFOJBNBGOZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.58
Rot. Bonds5

About N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide

N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 20873125) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID20873125
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C22H21N3O3/c1-15(2)24(13-16-8-4-3-5-9-16)20(26)14-25-21-17-10-6-7-11-19(17)28-22(27)18(21)12-23-25/h3-12,15H,13-14H2,1-2H3
InChIKeyPTIGWFOJBNBGOZ-UHFFFAOYSA-N
XLogP3.58
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide (CID 20873125) is N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1ncc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is PTIGWFOJBNBGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(2)24(13-16-8-4-3-5-9-16)20(26)14-25-21-17-10-6-7-11-19(17)28-22(27)18(21)12-23-25/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 375.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 20873125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).