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

C74H79FN20O9S — CID 159579808

IUPAC2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ncc(C(C)C)c(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1ncc(C(C)C)c(=O)[nH]1.Cc1cc(NC(=O)c2ccccc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2ncc(C(C)C)c(=O)[nH]2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18FN5O2.C18H19N5O2/c2*1-11(2)14-10-20-19(22-18(14)26)24-16(9-12(3)23-24)21-17(25)13-7-5-6-8-15(13)27-4;1-10(2)13-9-20-18(22-17(13)26)24-15(8-11(3)23-24)21-16(25)12-6-4-5-7-14(12)19;1-11(2)14-10-19-18(21-17(14)25)23-15(9-12(3)22-23)20-16(24)13-7-5-4-6-8-13/h2*5-11H,1-4H3,(H,21,25)(H,20,22,26);4-10H,1-3H3,(H,21,25)(H,20,22,26);4-11H,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyMIWHSYIEQQSBJE-UHFFFAOYSA-N
MW1443.64 g/mol
LogP11.43
Rot. Bonds18

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

2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 159579808) has the molecular formula C74H79FN20O9S and a molecular weight of 1443.64 g/mol. Its IUPAC name is 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID159579808
Molecular FormulaC74H79FN20O9S
Molecular Weight1443.64 g/mol
Exact Mass1442.60
IUPAC Name2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ncc(C(C)C)c(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1ncc(C(C)C)c(=O)[nH]1.Cc1cc(NC(=O)c2ccccc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2ncc(C(C)C)c(=O)[nH]2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18FN5O2.C18H19N5O2/c2*1-11(2)14-10-20-19(22-18(14)26)24-16(9-12(3)23-24)21-17(25)13-7-5-6-8-15(13)27-4;1-10(2)13-9-20-18(22-17(13)26)24-15(8-11(3)23-24)21-16(25)12-6-4-5-7-14(12)19;1-11(2)14-10-19-18(21-17(14)25)23-15(9-12(3)22-23)20-16(24)13-7-5-4-6-8-13/h2*5-11H,1-4H3,(H,21,25)(H,20,22,26);4-10H,1-3H3,(H,21,25)(H,20,22,26);4-11H,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyMIWHSYIEQQSBJE-UHFFFAOYSA-N
XLogP11.43
TPSA379.91 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001443.64
LogP ≤ 511.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-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-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (CID 159579808) is 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-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-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncc(C(C)C)c(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1ncc(C(C)C)c(=O)[nH]1.Cc1cc(NC(=O)c2ccccc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.
What is the InChIKey of 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is MIWHSYIEQQSBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C19H21N5O2S.C18H18FN5O2.C18H19N5O2/c2*1-11(2)14-10-20-19(22-18(14)26)24-16(9-12(3)23-24)21-17(25)13-7-5-6-8-15(13)27-4;1-10(2)13-9-20-18(22-17(13)26)24-15(8-11(3)23-24)21-16(25)12-6-4-5-7-14(12)19;1-11(2)14-10-19-18(21-17(14)25)23-15(9-12(3)22-23)20-16(24)13-7-5-4-6-8-13/h2*5-11H,1-4H3,(H,21,25)(H,20,22,26);4-10H,1-3H3,(H,21,25)(H,20,22,26);4-11H,1-3H3,(H,20,24)(H,19,21,25).
What are the key properties of 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 1443.64 g/mol, XLogP of 11.43, 18 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 159579808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).