N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C22H23N3O4 — CID 11957171

IUPACN-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCCCN(Cc1ccco1)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
InChIInChI=1S/C22H23N3O4/c1-3-4-9-24(13-16-6-5-10-28-16)20(26)14-25-21-17-11-15(2)7-8-19(17)29-22(27)18(21)12-23-25/h5-8,10-12H,3-4,9,13-14H2,1-2H3
InChIKeyZANHVJYUIQUMHO-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.87
Rot. Bonds7

About N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 11957171) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID11957171
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCCCN(Cc1ccco1)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
InChIInChI=1S/C22H23N3O4/c1-3-4-9-24(13-16-6-5-10-28-16)20(26)14-25-21-17-11-15(2)7-8-19(17)29-22(27)18(21)12-23-25/h5-8,10-12H,3-4,9,13-14H2,1-2H3
InChIKeyZANHVJYUIQUMHO-UHFFFAOYSA-N
XLogP3.87
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 11957171) is N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is CCCCN(Cc1ccco1)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is ZANHVJYUIQUMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-4-9-24(13-16-6-5-10-28-16)20(26)14-25-21-17-11-15(2)7-8-19(17)29-22(27)18(21)12-23-25/h5-8,10-12H,3-4,9,13-14H2,1-2H3.
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 11957171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).