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

C17H12N2O3 — CID 10266319

IUPAC6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2ccccc2)c2oc3ccc(O)cc3c(=O)c12
InChIInChI=1S/C17H12N2O3/c1-10-15-16(21)13-9-12(20)7-8-14(13)22-17(15)19(18-10)11-5-3-2-4-6-11/h2-9,20H,1H3
InChIKeyWWEBQDGZMJDBBY-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.15
Rot. Bonds1

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

6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one (PubChem CID 10266319) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
PubChem CID10266319
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2ccccc2)c2oc3ccc(O)cc3c(=O)c12
InChIInChI=1S/C17H12N2O3/c1-10-15-16(21)13-9-12(20)7-8-14(13)22-17(15)19(18-10)11-5-3-2-4-6-11/h2-9,20H,1H3
InChIKeyWWEBQDGZMJDBBY-UHFFFAOYSA-N
XLogP3.15
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The IUPAC name of 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one (CID 10266319) is 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one.
What is the SMILES notation for 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The canonical SMILES for 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one is Cc1nn(-c2ccccc2)c2oc3ccc(O)cc3c(=O)c12.
What is the InChIKey of 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The InChIKey is WWEBQDGZMJDBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-10-15-16(21)13-9-12(20)7-8-14(13)22-17(15)19(18-10)11-5-3-2-4-6-11/h2-9,20H,1H3.
What are the key properties of 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one has a molecular weight of 292.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one is sourced from PubChem (CID 10266319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).