ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate

C16H16N4O3 — CID 3064534

IUPACethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C16H16N4O3/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21/h5-9H,4H2,1-3H3
InChIKeyTZFZMYHFGCUVMC-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.60
Rot. Bonds3

About ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate

ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate (PubChem CID 3064534) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
PubChem CID3064534
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Nameethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C16H16N4O3/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21/h5-9H,4H2,1-3H3
InChIKeyTZFZMYHFGCUVMC-UHFFFAOYSA-N
XLogP1.60
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.60
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-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate (CID 3064534) is ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
The InChIKey is TZFZMYHFGCUVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate?
ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 1.60, 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-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 3064534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).