N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide

C177H184N42O23 — CID 157127888

IUPACN-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide
SMILESCCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)n1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)n1.O=C(NCCCNC(=O)c1cc2ccccc2o1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H20N4O3.2C20H21N5O2.C20H22N4O3.2C19H20N6O2.3C19H20N4O3/c27-21(18-14-17(25-26-18)15-7-2-1-3-8-15)23-11-6-12-24-22(28)20-13-16-9-4-5-10-19(16)29-20;1-14-8-9-16(13-23-14)19(26)21-10-5-11-22-20(27)18-12-17(24-25-18)15-6-3-2-4-7-15;1-14-8-11-21-17(12-14)19(26)22-9-5-10-23-20(27)18-13-16(24-25-18)15-6-3-2-4-7-15;1-2-15-9-10-18(27-15)20(26)22-12-6-11-21-19(25)17-13-16(23-24-17)14-7-4-3-5-8-14;2*1-13-11-20-12-17(23-13)19(27)22-9-5-8-21-18(26)16-10-15(24-25-16)14-6-3-2-4-7-14;3*1-13-8-9-17(26-13)19(25)21-11-5-10-20-18(24)16-12-15(22-23-16)14-6-3-2-4-7-14/h1-5,7-10,13-14H,6,11-12H2,(H,23,27)(H,24,28)(H,25,26);2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,26)(H,22,27)(H,24,25);2-4,6-8,11-13H,5,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,25);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,24);2*2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,26)(H,22,27)(H,24,25);3*2-4,6-9,12H,5,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyAISITXCHQYEKTL-UHFFFAOYSA-N
MW3267.69 g/mol
LogP21.85
Rot. Bonds64

About N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide

N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 157127888) has the molecular formula C177H184N42O23 and a molecular weight of 3267.69 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide
PubChem CID157127888
Molecular FormulaC177H184N42O23
Molecular Weight3267.69 g/mol
Exact Mass3265.45
IUPAC NameN-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide
SMILESCCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)n1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)n1.O=C(NCCCNC(=O)c1cc2ccccc2o1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H20N4O3.2C20H21N5O2.C20H22N4O3.2C19H20N6O2.3C19H20N4O3/c27-21(18-14-17(25-26-18)15-7-2-1-3-8-15)23-11-6-12-24-22(28)20-13-16-9-4-5-10-19(16)29-20;1-14-8-9-16(13-23-14)19(26)21-10-5-11-22-20(27)18-12-17(24-25-18)15-6-3-2-4-7-15;1-14-8-11-21-17(12-14)19(26)22-9-5-10-23-20(27)18-13-16(24-25-18)15-6-3-2-4-7-15;1-2-15-9-10-18(27-15)20(26)22-12-6-11-21-19(25)17-13-16(23-24-17)14-7-4-3-5-8-14;2*1-13-11-20-12-17(23-13)19(27)22-9-5-8-21-18(26)16-10-15(24-25-16)14-6-3-2-4-7-14;3*1-13-8-9-17(26-13)19(25)21-11-5-10-20-18(24)16-12-15(22-23-16)14-6-3-2-4-7-14/h1-5,7-10,13-14H,6,11-12H2,(H,23,27)(H,24,28)(H,25,26);2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,26)(H,22,27)(H,24,25);2-4,6-8,11-13H,5,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,25);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,24);2*2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,26)(H,22,27)(H,24,25);3*2-4,6-9,12H,5,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyAISITXCHQYEKTL-UHFFFAOYSA-N
XLogP21.85
TPSA924.96 Ų
H-Bond Donors27
H-Bond Acceptors38
Rotatable Bonds64
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003267.69
LogP ≤ 521.85
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide (CID 157127888) is N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide is CCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)n1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)n1.O=C(NCCCNC(=O)c1cc2ccccc2o1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is AISITXCHQYEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3.2C20H21N5O2.C20H22N4O3.2C19H20N6O2.3C19H20N4O3/c27-21(18-14-17(25-26-18)15-7-2-1-3-8-15)23-11-6-12-24-22(28)20-13-16-9-4-5-10-19(16)29-20;1-14-8-9-16(13-23-14)19(26)21-10-5-11-22-20(27)18-12-17(24-25-18)15-6-3-2-4-7-15;1-14-8-11-21-17(12-14)19(26)22-9-5-10-23-20(27)18-13-16(24-25-18)15-6-3-2-4-7-15;1-2-15-9-10-18(27-15)20(26)22-12-6-11-21-19(25)17-13-16(23-24-17)14-7-4-3-5-8-14;2*1-13-11-20-12-17(23-13)19(27)22-9-5-8-21-18(26)16-10-15(24-25-16)14-6-3-2-4-7-14;3*1-13-8-9-17(26-13)19(25)21-11-5-10-20-18(24)16-12-15(22-23-16)14-6-3-2-4-7-14/h1-5,7-10,13-14H,6,11-12H2,(H,23,27)(H,24,28)(H,25,26);2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,26)(H,22,27)(H,24,25);2-4,6-8,11-13H,5,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,25);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,24);2*2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,26)(H,22,27)(H,24,25);3*2-4,6-9,12H,5,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide?
N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 3267.69 g/mol, XLogP of 21.85, 64 rotatable bonds, 27 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;tris(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide);bis(6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide);4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 157127888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).