4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

C92H89ClFN25O11S — CID 158801125

IUPAC4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C2CC2)cc(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C2CC2)cc(=O)[nH]1.Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C3CC3)cc(=O)[nH]2)n1
InChIInChI=1S/C19H19N5O3.C19H19N5O2S.C18H18ClN5O2.C18H16FN5O2.C18H17N5O2/c2*1-11-9-16(21-18(26)13-5-3-4-6-15(13)27-2)24(23-11)19-20-14(12-7-8-12)10-17(25)22-19;1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-4-6-13(19)7-5-12;1-10-8-15(21-17(26)12-4-2-3-5-13(12)19)24(23-10)18-20-14(11-6-7-11)9-16(25)22-18;1-11-9-15(20-17(25)13-5-3-2-4-6-13)23(22-11)18-19-14(12-7-8-12)10-16(24)21-18/h2*3-6,9-10,12H,7-8H2,1-2H3,(H,21,26)(H,20,22,25);4-10H,1-3H3,(H,21,26)(H,20,22,25);2-5,8-9,11H,6-7H2,1H3,(H,21,26)(H,20,22,25);2-6,9-10,12H,7-8H2,1H3,(H,20,25)(H,19,21,24)
InChIKeyITMPDPNITWIZFI-UHFFFAOYSA-N
MW1807.41 g/mol
LogP13.74
Rot. Bonds22

About 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 158801125) has the molecular formula C92H89ClFN25O11S and a molecular weight of 1807.41 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID158801125
Molecular FormulaC92H89ClFN25O11S
Molecular Weight1807.41 g/mol
Exact Mass1805.66
IUPAC Name4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C2CC2)cc(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C2CC2)cc(=O)[nH]1.Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C3CC3)cc(=O)[nH]2)n1
InChIInChI=1S/C19H19N5O3.C19H19N5O2S.C18H18ClN5O2.C18H16FN5O2.C18H17N5O2/c2*1-11-9-16(21-18(26)13-5-3-4-6-15(13)27-2)24(23-11)19-20-14(12-7-8-12)10-17(25)22-19;1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-4-6-13(19)7-5-12;1-10-8-15(21-17(26)12-4-2-3-5-13(12)19)24(23-10)18-20-14(11-6-7-11)9-16(25)22-18;1-11-9-15(20-17(25)13-5-3-2-4-6-13)23(22-11)18-19-14(12-7-8-12)10-16(24)21-18/h2*3-6,9-10,12H,7-8H2,1-2H3,(H,21,26)(H,20,22,25);4-10H,1-3H3,(H,21,26)(H,20,22,25);2-5,8-9,11H,6-7H2,1H3,(H,21,26)(H,20,22,25);2-6,9-10,12H,7-8H2,1H3,(H,20,25)(H,19,21,24)
InChIKeyITMPDPNITWIZFI-UHFFFAOYSA-N
XLogP13.74
TPSA472.58 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001807.41
LogP ≤ 513.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (CID 158801125) is 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C2CC2)cc(=O)[nH]1.CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(C2CC2)cc(=O)[nH]1.Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.
What is the InChIKey of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is ITMPDPNITWIZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3.C19H19N5O2S.C18H18ClN5O2.C18H16FN5O2.C18H17N5O2/c2*1-11-9-16(21-18(26)13-5-3-4-6-15(13)27-2)24(23-11)19-20-14(12-7-8-12)10-17(25)22-19;1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-4-6-13(19)7-5-12;1-10-8-15(21-17(26)12-4-2-3-5-13(12)19)24(23-10)18-20-14(11-6-7-11)9-16(25)22-18;1-11-9-15(20-17(25)13-5-3-2-4-6-13)23(22-11)18-19-14(12-7-8-12)10-16(24)21-18/h2*3-6,9-10,12H,7-8H2,1-2H3,(H,21,26)(H,20,22,25);4-10H,1-3H3,(H,21,26)(H,20,22,25);2-5,8-9,11H,6-7H2,1H3,(H,21,26)(H,20,22,25);2-6,9-10,12H,7-8H2,1H3,(H,20,25)(H,19,21,24).
What are the key properties of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 1807.41 g/mol, XLogP of 13.74, 22 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 158801125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).