4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one

C18H16N2O4 — CID 11702562

IUPAC4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCn3cccn3)c3ccoc3cc2o1
InChIInChI=1S/C18H16N2O4/c21-17-5-4-13-16(24-17)12-15-14(6-11-22-15)18(13)23-10-2-1-8-20-9-3-7-19-20/h3-7,9,11-12H,1-2,8,10H2
InChIKeyJSWPCSDLXYCWSZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.59
Rot. Bonds6

About 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one

4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one (PubChem CID 11702562) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one
PubChem CID11702562
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCn3cccn3)c3ccoc3cc2o1
InChIInChI=1S/C18H16N2O4/c21-17-5-4-13-16(24-17)12-15-14(6-11-22-15)18(13)23-10-2-1-8-20-9-3-7-19-20/h3-7,9,11-12H,1-2,8,10H2
InChIKeyJSWPCSDLXYCWSZ-UHFFFAOYSA-N
XLogP3.59
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one (CID 11702562) is 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one is O=c1ccc2c(OCCCCn3cccn3)c3ccoc3cc2o1.
What is the InChIKey of 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one?
The InChIKey is JSWPCSDLXYCWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17-5-4-13-16(24-17)12-15-14(6-11-22-15)18(13)23-10-2-1-8-20-9-3-7-19-20/h3-7,9,11-12H,1-2,8,10H2.
What are the key properties of 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one?
4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one has a molecular weight of 324.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 11702562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).