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

C72H77ClN20O10S — CID 157299327

IUPAC4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2SC)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18ClN5O2.C16H17N5O3/c2*1-4-7-13-11-17(25)22-19(20-13)24-16(10-12(2)23-24)21-18(26)14-8-5-6-9-15(14)27-3;1-3-4-14-10-16(25)22-18(20-14)24-15(9-11(2)23-24)21-17(26)12-5-7-13(19)8-6-12;1-3-5-11-9-14(22)19-16(17-11)21-13(8-10(2)20-21)18-15(23)12-6-4-7-24-12/h2*5-6,8-11H,4,7H2,1-3H3,(H,21,26)(H,20,22,25);5-10H,3-4H2,1-2H3,(H,21,26)(H,20,22,25);4,6-9H,3,5H2,1-2H3,(H,18,23)(H,17,19,22)
InChIKeyBBSFGDCPGQHJRC-UHFFFAOYSA-N
MW1450.06 g/mol
LogP10.85
Rot. Bonds22

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

4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 157299327) has the molecular formula C72H77ClN20O10S and a molecular weight of 1450.06 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID157299327
Molecular FormulaC72H77ClN20O10S
Molecular Weight1450.06 g/mol
Exact Mass1448.55
IUPAC Name4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2SC)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1
InChIInChI=1S/C19H21N5O3.C19H21N5O2S.C18H18ClN5O2.C16H17N5O3/c2*1-4-7-13-11-17(25)22-19(20-13)24-16(10-12(2)23-24)21-18(26)14-8-5-6-9-15(14)27-3;1-3-4-14-10-16(25)22-18(20-14)24-15(9-11(2)23-24)21-17(26)12-5-7-13(19)8-6-12;1-3-5-11-9-14(22)19-16(17-11)21-13(8-10(2)20-21)18-15(23)12-6-4-7-24-12/h2*5-6,8-11H,4,7H2,1-3H3,(H,21,26)(H,20,22,25);5-10H,3-4H2,1-2H3,(H,21,26)(H,20,22,25);4,6-9H,3,5H2,1-2H3,(H,18,23)(H,17,19,22)
InChIKeyBBSFGDCPGQHJRC-UHFFFAOYSA-N
XLogP10.85
TPSA393.05 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001450.06
LogP ≤ 510.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-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-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (CID 157299327) is 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2SC)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1.
What is the InChIKey of 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is BBSFGDCPGQHJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C19H21N5O2S.C18H18ClN5O2.C16H17N5O3/c2*1-4-7-13-11-17(25)22-19(20-13)24-16(10-12(2)23-24)21-18(26)14-8-5-6-9-15(14)27-3;1-3-4-14-10-16(25)22-18(20-14)24-15(9-11(2)23-24)21-17(26)12-5-7-13(19)8-6-12;1-3-5-11-9-14(22)19-16(17-11)21-13(8-10(2)20-21)18-15(23)12-6-4-7-24-12/h2*5-6,8-11H,4,7H2,1-3H3,(H,21,26)(H,20,22,25);5-10H,3-4H2,1-2H3,(H,21,26)(H,20,22,25);4,6-9H,3,5H2,1-2H3,(H,18,23)(H,17,19,22).
What are the key properties of 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?
4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 1450.06 g/mol, XLogP of 10.85, 22 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 157299327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).