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

C18H16N4OS — CID 160981940

IUPAC5-[(E)-2-(furan-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
InChIInChI=1S/C9H8N2O.C9H8N2S/c2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h2*1-7H,(H,10,11)/b2*4-3+
InChIKeySZQAODQSQJOGLW-XOMXBQTJSA-N
MW336.42 g/mol
LogP4.81
Rot. Bonds4

About 5-[(E)-2-(furan-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-thiophen-2-ylethenyl]-1H-pyrazole (PubChem CID 160981940) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[(E)-2-(furan-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-thiophen-2-ylethenyl]-1H-pyrazole
PubChem CID160981940
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name5-[(E)-2-(furan-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
InChIInChI=1S/C9H8N2O.C9H8N2S/c2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h2*1-7H,(H,10,11)/b2*4-3+
InChIKeySZQAODQSQJOGLW-XOMXBQTJSA-N
XLogP4.81
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-furan-2-ylmethylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6862112
N-(furan-2-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 696667
N-[3-(furan-2-yl)prop-2-enylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4457514
N'-[(1Z,2E)-3-(Furan-2-YL)prop-2-EN-1-ylidene]-3-(thiophen-2-YL)-1H-pyrazole-5-carbohydrazide
CID 5627559
5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole
CID 129168858
3-tert-butyl-2-methylfuran;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;bis(4-tert-butyl-5-methyl-3H-pyrrole);3-tert-butyl-2-methylthiophene
CID 158631616
1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane
CID 159008641
cumene;3-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160707391
1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane
CID 161761974
2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylthiophene;bis(5-propan-2-yl-1H-pyrazole)
CID 167658944
N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 3941788
N-[(Z)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395110

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-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-thiophen-2-ylethenyl]-1H-pyrazole (CID 160981940) is 5-[(E)-2-(furan-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-thiophen-2-ylethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(furan-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.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?
The InChIKey is SZQAODQSQJOGLW-XOMXBQTJSA-N. The full InChI is InChI=1S/C9H8N2O.C9H8N2S/c2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h2*1-7H,(H,10,11)/b2*4-3+.
What are the key properties of 5-[(E)-2-(furan-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-thiophen-2-ylethenyl]-1H-pyrazole has a molecular weight of 336.42 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole is sourced from PubChem (CID 160981940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).