N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide

C60H54F2N20O9S — CID 159669508

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nccc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccs2)n1
InChIInChI=1S/2C16H14FN5O2.C14H13N5O3.C14H13N5O2S/c1-9-8-14(23)20-16(18-9)22-13(7-10(2)21-22)19-15(24)11-5-3-4-6-12(11)17;1-2-10-9-14(23)21-16(19-10)22-13(7-8-18-22)20-15(24)11-5-3-4-6-12(11)17;2*1-8-7-12(20)17-14(15-8)19-11(6-9(2)18-19)16-13(21)10-4-3-5-22-10/h3-8H,1-2H3,(H,19,24)(H,18,20,23);3-9H,2H2,1H3,(H,20,24)(H,19,21,23);2*3-7H,1-2H3,(H,16,21)(H,15,17,20)
InChIKeyMTUZBJOKCTXZBX-UHFFFAOYSA-N
MW1269.29 g/mol
LogP7.18
Rot. Bonds13

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 159669508) has the molecular formula C60H54F2N20O9S and a molecular weight of 1269.29 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID159669508
Molecular FormulaC60H54F2N20O9S
Molecular Weight1269.29 g/mol
Exact Mass1268.41
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nccc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccs2)n1
InChIInChI=1S/2C16H14FN5O2.C14H13N5O3.C14H13N5O2S/c1-9-8-14(23)20-16(18-9)22-13(7-10(2)21-22)19-15(24)11-5-3-4-6-12(11)17;1-2-10-9-14(23)21-16(19-10)22-13(7-8-18-22)20-15(24)11-5-3-4-6-12(11)17;2*1-8-7-12(20)17-14(15-8)19-11(6-9(2)18-19)16-13(21)10-4-3-5-22-10/h3-8H,1-2H3,(H,19,24)(H,18,20,23);3-9H,2H2,1H3,(H,20,24)(H,19,21,23);2*3-7H,1-2H3,(H,16,21)(H,15,17,20)
InChIKeyMTUZBJOKCTXZBX-UHFFFAOYSA-N
XLogP7.18
TPSA383.82 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001269.29
LogP ≤ 57.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide (CID 159669508) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide is CCc1cc(=O)[nH]c(-n2nccc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccs2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is MTUZBJOKCTXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14FN5O2.C14H13N5O3.C14H13N5O2S/c1-9-8-14(23)20-16(18-9)22-13(7-10(2)21-22)19-15(24)11-5-3-4-6-12(11)17;1-2-10-9-14(23)21-16(19-10)22-13(7-8-18-22)20-15(24)11-5-3-4-6-12(11)17;2*1-8-7-12(20)17-14(15-8)19-11(6-9(2)18-19)16-13(21)10-4-3-5-22-10/h3-8H,1-2H3,(H,19,24)(H,18,20,23);3-9H,2H2,1H3,(H,20,24)(H,19,21,23);2*3-7H,1-2H3,(H,16,21)(H,15,17,20).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 1269.29 g/mol, XLogP of 7.18, 13 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-fluorobenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159669508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).