N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide

C115H101N23O9 — CID 162251712

IUPACN-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide
SMILESCOc1cc(C#Cc2ccccc2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#CC2CCNCC2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2ccccn2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2cccnc2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2ccncc2)ccc1NC(=O)c1ccnn1C.Cn1nccc1C(=O)Nc1ccc(C#Cc2ccccn2)c2c1OCO2
InChIInChI=1S/C20H17N3O2.C19H14N4O3.C19H22N4O.3C19H16N4O/c1-23-18(12-13-21-23)20(24)22-17-11-10-16(14-19(17)25-2)9-8-15-6-4-3-5-7-15;1-23-16(9-11-21-23)19(24)22-15-8-6-13(17-18(15)26-12-25-17)5-7-14-4-2-3-10-20-14;2*1-14-13-16(4-3-15-7-10-20-11-8-15)5-6-17(14)22-19(24)18-9-12-21-23(18)2;1-14-12-15(5-6-16-4-3-10-20-13-16)7-8-17(14)22-19(24)18-9-11-21-23(18)2;1-14-13-15(6-8-16-5-3-4-11-20-16)7-9-17(14)22-19(24)18-10-12-21-23(18)2/h3-7,10-14H,1-2H3,(H,22,24);2-4,6,8-11H,12H2,1H3,(H,22,24);5-6,9,12-13,15,20H,7-8,10-11H2,1-2H3,(H,22,24);5-13H,1-2H3,(H,22,24);3-4,7-13H,1-2H3,(H,22,24);3-5,7,9-13H,1-2H3,(H,22,24)
InChIKeyZYBQXMMYYMIKLN-UHFFFAOYSA-N
MW1949.22 g/mol
LogP15.94
Rot. Bonds13

About N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide

N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide (PubChem CID 162251712) has the molecular formula C115H101N23O9 and a molecular weight of 1949.22 g/mol. Its IUPAC name is N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide
PubChem CID162251712
Molecular FormulaC115H101N23O9
Molecular Weight1949.22 g/mol
Exact Mass1947.82
IUPAC NameN-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide
SMILESCOc1cc(C#Cc2ccccc2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#CC2CCNCC2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2ccccn2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2cccnc2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2ccncc2)ccc1NC(=O)c1ccnn1C.Cn1nccc1C(=O)Nc1ccc(C#Cc2ccccn2)c2c1OCO2
InChIInChI=1S/C20H17N3O2.C19H14N4O3.C19H22N4O.3C19H16N4O/c1-23-18(12-13-21-23)20(24)22-17-11-10-16(14-19(17)25-2)9-8-15-6-4-3-5-7-15;1-23-16(9-11-21-23)19(24)22-15-8-6-13(17-18(15)26-12-25-17)5-7-14-4-2-3-10-20-14;2*1-14-13-16(4-3-15-7-10-20-11-8-15)5-6-17(14)22-19(24)18-9-12-21-23(18)2;1-14-12-15(5-6-16-4-3-10-20-13-16)7-8-17(14)22-19(24)18-9-11-21-23(18)2;1-14-13-15(6-8-16-5-3-4-11-20-16)7-9-17(14)22-19(24)18-10-12-21-23(18)2/h3-7,10-14H,1-2H3,(H,22,24);2-4,6,8-11H,12H2,1H3,(H,22,24);5-6,9,12-13,15,20H,7-8,10-11H2,1-2H3,(H,22,24);5-13H,1-2H3,(H,22,24);3-4,7-13H,1-2H3,(H,22,24);3-5,7,9-13H,1-2H3,(H,22,24)
InChIKeyZYBQXMMYYMIKLN-UHFFFAOYSA-N
XLogP15.94
TPSA372.80 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001949.22
LogP ≤ 515.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide (CID 162251712) is N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide is COc1cc(C#Cc2ccccc2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#CC2CCNCC2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2ccccn2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2cccnc2)ccc1NC(=O)c1ccnn1C.Cc1cc(C#Cc2ccncc2)ccc1NC(=O)c1ccnn1C.Cn1nccc1C(=O)Nc1ccc(C#Cc2ccccn2)c2c1OCO2.
What is the InChIKey of N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide?
The InChIKey is ZYBQXMMYYMIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2.C19H14N4O3.C19H22N4O.3C19H16N4O/c1-23-18(12-13-21-23)20(24)22-17-11-10-16(14-19(17)25-2)9-8-15-6-4-3-5-7-15;1-23-16(9-11-21-23)19(24)22-15-8-6-13(17-18(15)26-12-25-17)5-7-14-4-2-3-10-20-14;2*1-14-13-16(4-3-15-7-10-20-11-8-15)5-6-17(14)22-19(24)18-9-12-21-23(18)2;1-14-12-15(5-6-16-4-3-10-20-13-16)7-8-17(14)22-19(24)18-9-11-21-23(18)2;1-14-13-15(6-8-16-5-3-4-11-20-16)7-9-17(14)22-19(24)18-10-12-21-23(18)2/h3-7,10-14H,1-2H3,(H,22,24);2-4,6,8-11H,12H2,1H3,(H,22,24);5-6,9,12-13,15,20H,7-8,10-11H2,1-2H3,(H,22,24);5-13H,1-2H3,(H,22,24);3-4,7-13H,1-2H3,(H,22,24);3-5,7,9-13H,1-2H3,(H,22,24).
What are the key properties of N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide?
N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide has a molecular weight of 1949.22 g/mol, XLogP of 15.94, 13 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(2-phenylethynyl)phenyl]-2-methylpyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-piperidin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[2-methyl-4-(2-pyridin-4-ylethynyl)phenyl]pyrazole-3-carboxamide;2-methyl-N-[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 162251712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).