ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate

C16H14N2O4 — CID 10851602

IUPACethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C)nn(-c3ccccc3)c2o1
InChIInChI=1S/C16H14N2O4/c1-3-21-16(20)13-9-12(19)14-10(2)17-18(15(14)22-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeySAUATUKHKJHLNB-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.46
Rot. Bonds3

About ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate

ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate (PubChem CID 10851602) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
PubChem CID10851602
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Nameethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C)nn(-c3ccccc3)c2o1
InChIInChI=1S/C16H14N2O4/c1-3-21-16(20)13-9-12(19)14-10(2)17-18(15(14)22-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeySAUATUKHKJHLNB-UHFFFAOYSA-N
XLogP2.46
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
CID 62085446
1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 3275580
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
ethyl 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanoate
CID 20888137
ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate
CID 25259939
ethyl 6-(2,2-dimethylpropanoyl)-3-oxo-2-phenylpyridazine-4-carboxylate
CID 100786022

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate?
The IUPAC name of ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate (CID 10851602) is ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate is CCOC(=O)c1cc(=O)c2c(C)nn(-c3ccccc3)c2o1.
What is the InChIKey of ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate?
The InChIKey is SAUATUKHKJHLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-3-21-16(20)13-9-12(19)14-10(2)17-18(15(14)22-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate?
ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate is sourced from PubChem (CID 10851602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).