ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C20H24N4O3 — CID 4878677

IUPACethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)NC1c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H24N4O3/c1-6-27-19(25)17-13(3)23(5)20(26)21-18(17)16-12(2)22-24(14(16)4)15-10-8-7-9-11-15/h7-11,18H,6H2,1-5H3,(H,21,26)
InChIKeyGZKNEOSFWDOBKB-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.02
Rot. Bonds4

About ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 4878677) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID4878677
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)NC1c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H24N4O3/c1-6-27-19(25)17-13(3)23(5)20(26)21-18(17)16-12(2)22-24(14(16)4)15-10-8-7-9-11-15/h7-11,18H,6H2,1-5H3,(H,21,26)
InChIKeyGZKNEOSFWDOBKB-UHFFFAOYSA-N
XLogP3.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 4878677) is ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(C)C(=O)NC1c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is GZKNEOSFWDOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-6-27-19(25)17-13(3)23(5)20(26)21-18(17)16-12(2)22-24(14(16)4)15-10-8-7-9-11-15/h7-11,18H,6H2,1-5H3,(H,21,26).
What are the key properties of ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 4878677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).