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

C21H18N4O3 — CID 3064537

IUPACethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C21H18N4O3/c1-3-28-21(27)17-13-22-25(15-9-5-4-6-10-15)19(17)24-14(2)23-18-12-8-7-11-16(18)20(24)26/h4-13H,3H2,1-2H3
InChIKeyUUYUDBMUDUJVGV-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.06
Rot. Bonds4

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

ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (PubChem CID 3064537) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
PubChem CID3064537
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Nameethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C21H18N4O3/c1-3-28-21(27)17-13-22-25(15-9-5-4-6-10-15)19(17)24-14(2)23-18-12-8-7-11-16(18)20(24)26/h4-13H,3H2,1-2H3
InChIKeyUUYUDBMUDUJVGV-UHFFFAOYSA-N
XLogP3.06
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (CID 3064537) is ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is UUYUDBMUDUJVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-3-28-21(27)17-13-22-25(15-9-5-4-6-10-15)19(17)24-14(2)23-18-12-8-7-11-16(18)20(24)26/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 3064537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).