2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide

C90H96FN25O12S — CID 158688776

IUPAC2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C(C)C)cc(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C(C)C)cc(=O)[nH]1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18FN5O2.C18H19N5O2.C16H17N5O3/c2*1-11(2)14-10-17(25)22-19(20-14)24-16(9-12(3)23-24)21-18(26)13-7-5-6-8-15(13)27-4;1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-6-4-5-7-13(12)19;1-11(2)14-10-16(24)21-18(19-14)23-15(9-12(3)22-23)20-17(25)13-7-5-4-6-8-13;1-9(2)11-8-14(22)19-16(17-11)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h2*5-11H,1-4H3,(H,21,26)(H,20,22,25);4-10H,1-3H3,(H,21,26)(H,20,22,25);4-11H,1-3H3,(H,20,25)(H,19,21,24);4-9H,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyIGBPOSGCIWQVHU-UHFFFAOYSA-N
MW1770.99 g/mol
LogP13.66
Rot. Bonds22

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

2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 158688776) has the molecular formula C90H96FN25O12S and a molecular weight of 1770.99 g/mol. Its IUPAC name is 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID158688776
Molecular FormulaC90H96FN25O12S
Molecular Weight1770.99 g/mol
Exact Mass1769.74
IUPAC Name2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C(C)C)cc(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C(C)C)cc(=O)[nH]1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18FN5O2.C18H19N5O2.C16H17N5O3/c2*1-11(2)14-10-17(25)22-19(20-14)24-16(9-12(3)23-24)21-18(26)13-7-5-6-8-15(13)27-4;1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-6-4-5-7-13(12)19;1-11(2)14-10-16(24)21-18(19-14)23-15(9-12(3)22-23)20-17(25)13-7-5-4-6-8-13;1-9(2)11-8-14(22)19-16(17-11)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h2*5-11H,1-4H3,(H,21,26)(H,20,22,25);4-10H,1-3H3,(H,21,26)(H,20,22,25);4-11H,1-3H3,(H,20,25)(H,19,21,24);4-9H,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyIGBPOSGCIWQVHU-UHFFFAOYSA-N
XLogP13.66
TPSA485.72 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.99
LogP ≤ 513.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (CID 158688776) is 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C(C)C)cc(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C(C)C)cc(=O)[nH]1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.
What is the InChIKey of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is IGBPOSGCIWQVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C19H21N5O2S.C18H18FN5O2.C18H19N5O2.C16H17N5O3/c2*1-11(2)14-10-17(25)22-19(20-14)24-16(9-12(3)23-24)21-18(26)13-7-5-6-8-15(13)27-4;1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-6-4-5-7-13(12)19;1-11(2)14-10-16(24)21-18(19-14)23-15(9-12(3)22-23)20-17(25)13-7-5-4-6-8-13;1-9(2)11-8-14(22)19-16(17-11)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h2*5-11H,1-4H3,(H,21,26)(H,20,22,25);4-10H,1-3H3,(H,21,26)(H,20,22,25);4-11H,1-3H3,(H,20,25)(H,19,21,24);4-9H,1-3H3,(H,18,23)(H,17,19,22).
What are the key properties of 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 1770.99 g/mol, XLogP of 13.66, 22 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 158688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).