4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

C98H90N14O4 — CID 158271486

IUPAC4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.Cc1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccccc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2cccnc2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C27H23N3O.C26H22N4O.C23H24N4O.C22H21N3O/c31-27(28-17-7-10-22-19-29-30-20-22)25-15-16-26(23-11-5-2-6-12-23)24(18-25)14-13-21-8-3-1-4-9-21;31-26(28-15-4-8-21-17-29-30-18-21)23-12-13-25(24-9-5-14-27-19-24)22(16-23)11-10-20-6-2-1-3-7-20;1-27(2)22-13-12-21(15-20(22)11-10-18-7-4-3-5-8-18)23(28)24-14-6-9-19-16-25-26-17-19;1-17-9-11-21(14-20(17)12-10-18-6-3-2-4-7-18)22(26)23-13-5-8-19-15-24-25-16-19/h1-6,8-9,11-12,15-16,18-20H,7,10,17H2,(H,28,31)(H,29,30);1-3,5-7,9,12-14,16-19H,4,8,15H2,(H,28,31)(H,29,30);3-5,7-8,12-13,15-17H,6,9,14H2,1-2H3,(H,24,28)(H,25,26);2-4,6-7,9,11,14-16H,5,8,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyGJBSUVWMSPDSOL-UHFFFAOYSA-N
MW1527.89 g/mol
LogP15.79
Rot. Bonds23

About 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 158271486) has the molecular formula C98H90N14O4 and a molecular weight of 1527.89 g/mol. Its IUPAC name is 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
PubChem CID158271486
Molecular FormulaC98H90N14O4
Molecular Weight1527.89 g/mol
Exact Mass1526.73
IUPAC Name4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.Cc1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccccc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2cccnc2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C27H23N3O.C26H22N4O.C23H24N4O.C22H21N3O/c31-27(28-17-7-10-22-19-29-30-20-22)25-15-16-26(23-11-5-2-6-12-23)24(18-25)14-13-21-8-3-1-4-9-21;31-26(28-15-4-8-21-17-29-30-18-21)23-12-13-25(24-9-5-14-27-19-24)22(16-23)11-10-20-6-2-1-3-7-20;1-27(2)22-13-12-21(15-20(22)11-10-18-7-4-3-5-8-18)23(28)24-14-6-9-19-16-25-26-17-19;1-17-9-11-21(14-20(17)12-10-18-6-3-2-4-7-18)22(26)23-13-5-8-19-15-24-25-16-19/h1-6,8-9,11-12,15-16,18-20H,7,10,17H2,(H,28,31)(H,29,30);1-3,5-7,9,12-14,16-19H,4,8,15H2,(H,28,31)(H,29,30);3-5,7-8,12-13,15-17H,6,9,14H2,1-2H3,(H,24,28)(H,25,26);2-4,6-7,9,11,14-16H,5,8,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyGJBSUVWMSPDSOL-UHFFFAOYSA-N
XLogP15.79
TPSA247.25 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.89
LogP ≤ 515.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide with MolForge

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Related Compounds

4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-(2-pyridin-3-ylethynyl)benzamide
CID 118203072
3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 118203200
3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-(pyridin-4-ylmethylsulfonyl)benzamide
CID 172616239
3-[2-[6-(dimethylamino)-2-pyridinyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 118203073
4-[[2-[2-(4-fluorophenyl)ethynyl]-4-[3-(1H-pyrazol-4-yl)propylcarbamoyl]phenyl]sulfonylmethyl]benzoic acid
CID 172616343
3-[2-(4-fluorophenyl)ethynyl]-4-[(1-methylpyrazol-3-yl)sulfamoyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 172616382
4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 25349409
3-[2-(4-fluorophenyl)ethynyl]-4-(2-piperazin-1-ylethylsulfamoyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 172616161
1-methyl-N-[4-[2-[2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-[3-(1H-pyrazol-4-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]pyrazole-4-carboxamide
CID 172616493
N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 134798057
4-[(1-methylpyrazol-3-yl)methylsulfonyl]-3-[2-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 172616514
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (CID 158271486) is 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is CN(C)c1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.Cc1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccccc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2cccnc2)c(C#Cc2ccccc2)c1.
What is the InChIKey of 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is GJBSUVWMSPDSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O.C26H22N4O.C23H24N4O.C22H21N3O/c31-27(28-17-7-10-22-19-29-30-20-22)25-15-16-26(23-11-5-2-6-12-23)24(18-25)14-13-21-8-3-1-4-9-21;31-26(28-15-4-8-21-17-29-30-18-21)23-12-13-25(24-9-5-14-27-19-24)22(16-23)11-10-20-6-2-1-3-7-20;1-27(2)22-13-12-21(15-20(22)11-10-18-7-4-3-5-8-18)23(28)24-14-6-9-19-16-25-26-17-19;1-17-9-11-21(14-20(17)12-10-18-6-3-2-4-7-18)22(26)23-13-5-8-19-15-24-25-16-19/h1-6,8-9,11-12,15-16,18-20H,7,10,17H2,(H,28,31)(H,29,30);1-3,5-7,9,12-14,16-19H,4,8,15H2,(H,28,31)(H,29,30);3-5,7-8,12-13,15-17H,6,9,14H2,1-2H3,(H,24,28)(H,25,26);2-4,6-7,9,11,14-16H,5,8,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?
4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 1527.89 g/mol, XLogP of 15.79, 23 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 158271486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).