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

C18H14N2O3 — CID 10380432

IUPAC6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
SMILESCOc1ccc2oc3c(c(C)nn3-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C18H14N2O3/c1-11-16-17(21)14-10-13(22-2)8-9-15(14)23-18(16)20(19-11)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyUUGICWGTRSSSLG-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.45
Rot. Bonds2

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

6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one (PubChem CID 10380432) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
PubChem CID10380432
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
SMILESCOc1ccc2oc3c(c(C)nn3-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C18H14N2O3/c1-11-16-17(21)14-10-13(22-2)8-9-15(14)23-18(16)20(19-11)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyUUGICWGTRSSSLG-UHFFFAOYSA-N
XLogP3.45
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The IUPAC name of 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one (CID 10380432) is 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one.
What is the SMILES notation for 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The canonical SMILES for 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one is COc1ccc2oc3c(c(C)nn3-c3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
The InChIKey is UUGICWGTRSSSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-16-17(21)14-10-13(22-2)8-9-15(14)23-18(16)20(19-11)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one?
6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one has a molecular weight of 306.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one is sourced from PubChem (CID 10380432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).