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

C90H95ClFN25O12S — CID 157296110

IUPAC4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.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)c2ccc(Cl)cc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18ClN5O2.C18H18FN5O2.C16H17N5O3/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)14-9-20-18(22-17(14)26)24-15(8-11(3)23-24)21-16(25)12-4-6-13(19)7-5-12;1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19;1-9(2)11-8-17-16(19-14(11)22)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h2*5-11H,1-4H3,(H,21,25)(H,20,22,26);4-10H,1-3H3,(H,21,25)(H,20,22,26);4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25);4-9H,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyBBJBKQHKRNOOHW-UHFFFAOYSA-N
MW1805.43 g/mol
LogP14.14
Rot. Bonds23

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

4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 157296110) has the molecular formula C90H95ClFN25O12S and a molecular weight of 1805.43 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID157296110
Molecular FormulaC90H95ClFN25O12S
Molecular Weight1805.43 g/mol
Exact Mass1803.70
IUPAC Name4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.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)c2ccc(Cl)cc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18ClN5O2.C18H18FN5O2.C16H17N5O3/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)14-9-20-18(22-17(14)26)24-15(8-11(3)23-24)21-16(25)12-4-6-13(19)7-5-12;1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19;1-9(2)11-8-17-16(19-14(11)22)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h2*5-11H,1-4H3,(H,21,25)(H,20,22,26);4-10H,1-3H3,(H,21,25)(H,20,22,26);4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25);4-9H,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyBBJBKQHKRNOOHW-UHFFFAOYSA-N
XLogP14.14
TPSA485.72 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.43
LogP ≤ 514.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;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 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (CID 157296110) is 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;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 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.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)c2ccc(Cl)cc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.
What is the InChIKey of 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is BBJBKQHKRNOOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C19H21N5O2S.C18H18ClN5O2.C18H18FN5O2.C16H17N5O3/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)14-9-20-18(22-17(14)26)24-15(8-11(3)23-24)21-16(25)12-4-6-13(19)7-5-12;1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19;1-9(2)11-8-17-16(19-14(11)22)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h2*5-11H,1-4H3,(H,21,25)(H,20,22,26);4-10H,1-3H3,(H,21,25)(H,20,22,26);4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25);4-9H,1-3H3,(H,18,23)(H,17,19,22).
What are the key properties of 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 1805.43 g/mol, XLogP of 14.14, 23 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-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]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 157296110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).