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

C58H53N15OS2 — CID 158656857

IUPAC5-[(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
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
InChIInChI=1S/C13H11N3.2C9H9N3.C9H8N2O.2C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;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);2*1-7,10H,(H,11,12);3*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+;2-1+;4-3+
InChIKeyICGCKBNQVGMYNT-ZMCNQJCXSA-N
MW1040.30 g/mol
LogP14.33
Rot. Bonds12

About 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

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 (PubChem CID 158656857) has the molecular formula C58H53N15OS2 and a molecular weight of 1040.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID158656857
Molecular FormulaC58H53N15OS2
Molecular Weight1040.30 g/mol
Exact Mass1039.40
IUPAC Name5-[(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
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
InChIInChI=1S/C13H11N3.2C9H9N3.C9H8N2O.2C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;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);2*1-7,10H,(H,11,12);3*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+;2-1+;4-3+
InChIKeyICGCKBNQVGMYNT-ZMCNQJCXSA-N
XLogP14.33
TPSA232.59 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.30
LogP ≤ 514.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N'-[1-[[4-[5-[[amino(thiophen-2-yl)methylidene]amino]-1H-indol-3-yl]cyclohexyl]-methylamino]-3-(1-methylpyrrolidin-3-yl)indol-5-yl]furan-2-carboximidamide
CID 88972142
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
4-[3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-2-thiophen-2-yl-1-benzothiophen-4-yl]-1H-benzotriazole
CID 141107879
2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline
CID 141213927
4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine
CID 141307333
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-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole
CID 157078803
cumene;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157157091
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.
What is the InChIKey of 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?
The InChIKey is ICGCKBNQVGMYNT-ZMCNQJCXSA-N. The full InChI is InChI=1S/C13H11N3.2C9H9N3.C9H8N2O.2C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;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);2*1-7,10H,(H,11,12);3*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+;2-1+;4-3+.
What are the key properties of 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?
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 has a molecular weight of 1040.30 g/mol, XLogP of 14.33, 12 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).