5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole

C41H35N9O4S — CID 162145316

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C1=C(/C=C/c2ccn[nH]2)Cc2ccccc21.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1
InChIInChI=1S/C14H12N2.C9H7N3O3.C9H8N2O.C9H8N2S/c1-2-4-13-10-11(9-12(13)3-1)5-6-14-7-8-15-16-14;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9H,10H2,(H,15,16);1-6H,(H,10,11);2*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+
InChIKeyZKLYWNFAYANPMH-IWIWGREVSA-N
MW749.86 g/mol
LogP9.96
Rot. Bonds9

About 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole

5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole (PubChem CID 162145316) has the molecular formula C41H35N9O4S and a molecular weight of 749.86 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
PubChem CID162145316
Molecular FormulaC41H35N9O4S
Molecular Weight749.86 g/mol
Exact Mass749.25
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C1=C(/C=C/c2ccn[nH]2)Cc2ccccc21.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1
InChIInChI=1S/C14H12N2.C9H7N3O3.C9H8N2O.C9H8N2S/c1-2-4-13-10-11(9-12(13)3-1)5-6-14-7-8-15-16-14;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9H,10H2,(H,15,16);1-6H,(H,10,11);2*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+
InChIKeyZKLYWNFAYANPMH-IWIWGREVSA-N
XLogP9.96
TPSA184.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.86
LogP ≤ 59.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole with MolForge

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Related Compounds

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
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
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
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
CID 159760041
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
cumene;3-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160707391
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-(2H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 161142235

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole (CID 162145316) is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole is C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C1=C(/C=C/c2ccn[nH]2)Cc2ccccc21.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-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?
The InChIKey is ZKLYWNFAYANPMH-IWIWGREVSA-N. The full InChI is InChI=1S/C14H12N2.C9H7N3O3.C9H8N2O.C9H8N2S/c1-2-4-13-10-11(9-12(13)3-1)5-6-14-7-8-15-16-14;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9H,10H2,(H,15,16);1-6H,(H,10,11);2*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole has a molecular weight of 749.86 g/mol, XLogP of 9.96, 9 rotatable bonds, 4 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;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole is sourced from PubChem (CID 162145316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).