6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one

C17H11BrN2O2 — CID 10383537

IUPAC6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12
InChIInChI=1S/C17H11BrN2O2/c1-10-15-16(21)13-9-11(18)7-8-14(13)22-17(15)20(19-10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyAIYAQGQJZMZRHV-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.20
Rot. Bonds1

About 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one

6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one (PubChem CID 10383537) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
PubChem CID10383537
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12
InChIInChI=1S/C17H11BrN2O2/c1-10-15-16(21)13-9-11(18)7-8-14(13)22-17(15)20(19-10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyAIYAQGQJZMZRHV-UHFFFAOYSA-N
XLogP4.20
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The IUPAC name of 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one (CID 10383537) is 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one.
What is the SMILES notation for 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The canonical SMILES for 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one is Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12.
What is the InChIKey of 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The InChIKey is AIYAQGQJZMZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c1-10-15-16(21)13-9-11(18)7-8-14(13)22-17(15)20(19-10)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one has a molecular weight of 355.19 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one is sourced from PubChem (CID 10383537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).