8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one

C17H12N2O3 — CID 5307338

IUPAC8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one
SMILESCOc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12
InChIInChI=1S/C17H12N2O3/c1-21-14-9-5-6-11-10-13-16(22-15(11)14)18-19(17(13)20)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyXATUYNYKDFYZMG-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.09
Rot. Bonds2

About 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one

8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one (PubChem CID 5307338) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one.

Molecular Properties

Compound Name8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one
PubChem CID5307338
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one
SMILESCOc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12
InChIInChI=1S/C17H12N2O3/c1-21-14-9-5-6-11-10-13-16(22-15(11)14)18-19(17(13)20)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyXATUYNYKDFYZMG-UHFFFAOYSA-N
XLogP3.09
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one?
The IUPAC name of 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one (CID 5307338) is 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one.
What is the SMILES notation for 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one?
The canonical SMILES for 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one is COc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12.
What is the InChIKey of 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one?
The InChIKey is XATUYNYKDFYZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-21-14-9-5-6-11-10-13-16(22-15(11)14)18-19(17(13)20)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one?
8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one has a molecular weight of 292.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one is sourced from PubChem (CID 5307338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).