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

C85H88FN25O12S — CID 157147602

IUPACN-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2ccco2)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2cccs2)[nH]c(=O)c1C
InChIInChI=1S/C18H18FN5O2.C18H19N5O3.C17H17N5O2.C16H17N5O3.C16H17N5O2S/c1-4-14-11(3)16(25)22-18(20-14)24-15(9-10(2)23-24)21-17(26)12-7-5-6-8-13(12)19;1-4-12-10-16(24)21-18(19-12)23-15(9-11(2)22-23)20-17(25)13-7-5-6-8-14(13)26-3;1-3-13-10-15(23)20-17(18-13)22-14(9-11(2)21-22)19-16(24)12-7-5-4-6-8-12;2*1-4-11-10(3)14(22)19-16(17-11)21-13(8-9(2)20-21)18-15(23)12-6-5-7-24-12/h5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25);5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24);4-10H,3H2,1-2H3,(H,19,24)(H,18,20,23);2*5-8H,4H2,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyAKWOLYAMMIHHMU-UHFFFAOYSA-N
MW1702.87 g/mol
LogP11.12
Rot. Bonds21

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

N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide (PubChem CID 157147602) has the molecular formula C85H88FN25O12S and a molecular weight of 1702.87 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
PubChem CID157147602
Molecular FormulaC85H88FN25O12S
Molecular Weight1702.87 g/mol
Exact Mass1701.67
IUPAC NameN-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2ccco2)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2cccs2)[nH]c(=O)c1C
InChIInChI=1S/C18H18FN5O2.C18H19N5O3.C17H17N5O2.C16H17N5O3.C16H17N5O2S/c1-4-14-11(3)16(25)22-18(20-14)24-15(9-10(2)23-24)21-17(26)12-7-5-6-8-13(12)19;1-4-12-10-16(24)21-18(19-12)23-15(9-11(2)22-23)20-17(25)13-7-5-6-8-14(13)26-3;1-3-13-10-15(23)20-17(18-13)22-14(9-11(2)21-22)19-16(24)12-7-5-4-6-8-12;2*1-4-11-10(3)14(22)19-16(17-11)21-13(8-9(2)20-21)18-15(23)12-6-5-7-24-12/h5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25);5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24);4-10H,3H2,1-2H3,(H,19,24)(H,18,20,23);2*5-8H,4H2,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyAKWOLYAMMIHHMU-UHFFFAOYSA-N
XLogP11.12
TPSA485.72 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001702.87
LogP ≤ 511.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide (CID 157147602) is N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2ccco2)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2cccs2)[nH]c(=O)c1C.
What is the InChIKey of N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is AKWOLYAMMIHHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2.C18H19N5O3.C17H17N5O2.C16H17N5O3.C16H17N5O2S/c1-4-14-11(3)16(25)22-18(20-14)24-15(9-10(2)23-24)21-17(26)12-7-5-6-8-13(12)19;1-4-12-10-16(24)21-18(19-12)23-15(9-11(2)22-23)20-17(25)13-7-5-6-8-14(13)26-3;1-3-13-10-15(23)20-17(18-13)22-14(9-11(2)21-22)19-16(24)12-7-5-4-6-8-12;2*1-4-11-10(3)14(22)19-16(17-11)21-13(8-9(2)20-21)18-15(23)12-6-5-7-24-12/h5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25);5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24);4-10H,3H2,1-2H3,(H,19,24)(H,18,20,23);2*5-8H,4H2,1-3H3,(H,18,23)(H,17,19,22).
What are the key properties of N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 1702.87 g/mol, XLogP of 11.12, 21 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 157147602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).