5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole

C67H60N18O4S2 — CID 157430747

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
SMILESC(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1cc[nH]c1.C(=C/c1ccn[nH]1)\c1ccc[nH]1.C(=C/c1ccn[nH]1)\c1ccsc1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1
InChIInChI=1S/C13H11N3.C9H7N3O3.2C9H9N3.C9H8N2O.2C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;1(8-3-5-10-7-8)2-9-4-6-11-12-9;1-2-8(10-6-1)3-4-9-5-7-11-12-9;1-2-9(12-7-1)4-3-8-5-6-10-11-8;1(8-4-6-12-7-8)2-9-3-5-10-11-9;1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9,15H,(H,14,16);1-6H,(H,10,11);2*1-7,10H,(H,11,12);3*1-7H,(H,10,11)/b6-5+;2*2-1+;2*4-3+;2-1+;4-3+
InChIKeyBQMRZWQOQWZPIM-WRTRKOICSA-N
MW1245.47 g/mol
LogP16.42
Rot. Bonds15

About 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole

5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole (PubChem CID 157430747) has the molecular formula C67H60N18O4S2 and a molecular weight of 1245.47 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
PubChem CID157430747
Molecular FormulaC67H60N18O4S2
Molecular Weight1245.47 g/mol
Exact Mass1244.45
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
SMILESC(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1cc[nH]c1.C(=C/c1ccn[nH]1)\c1ccc[nH]1.C(=C/c1ccn[nH]1)\c1ccsc1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1
InChIInChI=1S/C13H11N3.C9H7N3O3.2C9H9N3.C9H8N2O.2C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;1(8-3-5-10-7-8)2-9-4-6-11-12-9;1-2-8(10-6-1)3-4-9-5-7-11-12-9;1-2-9(12-7-1)4-3-8-5-6-10-11-8;1(8-4-6-12-7-8)2-9-3-5-10-11-9;1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9,15H,(H,14,16);1-6H,(H,10,11);2*1-7,10H,(H,11,12);3*1-7H,(H,10,11)/b6-5+;2*2-1+;2*4-3+;2-1+;4-3+
InChIKeyBQMRZWQOQWZPIM-WRTRKOICSA-N
XLogP16.42
TPSA317.55 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001245.47
LogP ≤ 516.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole with MolForge

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Related Compounds

cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
5-[(E)-2-(2,3-dihydrofuran-5-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydrothiophen-5-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 157225242
5-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-1H-pyrazole;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
CID 157894467
methane;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;2-propan-2-yl-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;2-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157977621
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 158656857
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
CID 159001324
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 159703128
cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160067285
2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;1H-indazole;2H-isoindole
CID 160140429
bis(2,4-dimethylfuran);2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;bis(1,3-dimethylpyrrole);bis(2,4-dimethyl-1H-pyrrole);2,5-dimethyl-1H-pyrrole;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;ethane
CID 160191892
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 160212175

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole (CID 157430747) is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole is C(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1cc[nH]c1.C(=C/c1ccn[nH]1)\c1ccc[nH]1.C(=C/c1ccn[nH]1)\c1ccsc1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole?
The InChIKey is BQMRZWQOQWZPIM-WRTRKOICSA-N. The full InChI is InChI=1S/C13H11N3.C9H7N3O3.2C9H9N3.C9H8N2O.2C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;1(8-3-5-10-7-8)2-9-4-6-11-12-9;1-2-8(10-6-1)3-4-9-5-7-11-12-9;1-2-9(12-7-1)4-3-8-5-6-10-11-8;1(8-4-6-12-7-8)2-9-3-5-10-11-9;1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9,15H,(H,14,16);1-6H,(H,10,11);2*1-7,10H,(H,11,12);3*1-7H,(H,10,11)/b6-5+;2*2-1+;2*4-3+;2-1+;4-3+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole?
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole has a molecular weight of 1245.47 g/mol, XLogP of 16.42, 15 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole is sourced from PubChem (CID 157430747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).