ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate

C15H14N4O3 — CID 3064533

IUPACethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3
InChIKeyZJXGJCQDPGSRSC-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.30
Rot. Bonds3

About ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate

ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate (PubChem CID 3064533) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
PubChem CID3064533
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Nameethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3
InChIKeyZJXGJCQDPGSRSC-UHFFFAOYSA-N
XLogP1.30
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate (CID 3064533) is ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1-n1cnc2ccccc2c1=O.
What is the InChIKey of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The InChIKey is ZJXGJCQDPGSRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-3-22-15(21)11-8-17-18(2)13(11)19-9-16-12-7-5-4-6-10(12)14(19)20/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 3064533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).