1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole

C9H9N3O2S — CID 11127905

IUPAC1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole
SMILESCCc1cc([N+](=O)[O-])c(-n2cccn2)s1
InChIInChI=1S/C9H9N3O2S/c1-2-7-6-8(12(13)14)9(15-7)11-5-3-4-10-11/h3-6H,2H2,1H3
InChIKeyGNQFMNZZVNELFU-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.40
Rot. Bonds3

About 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole

1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole (PubChem CID 11127905) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole
PubChem CID11127905
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole
SMILESCCc1cc([N+](=O)[O-])c(-n2cccn2)s1
InChIInChI=1S/C9H9N3O2S/c1-2-7-6-8(12(13)14)9(15-7)11-5-3-4-10-11/h3-6H,2H2,1H3
InChIKeyGNQFMNZZVNELFU-UHFFFAOYSA-N
XLogP2.40
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)thio]pyridine
CID 2806086
1-(5-Methylthiophen-2-yl)-4-nitropyrazole
CID 132572984
1-[3-Nitro-5-(pyrrol-1-ylmethyl)thiophen-2-yl]piperidine
CID 166448131
1-[(4-Nitro-5-pyrrolidin-1-ylthiophen-2-yl)methyl]pyrrole
CID 166448181
1-[4-Nitro-5-[3-(trifluoromethyl)pyrazol-1-yl]thiophen-2-yl]ethanone
CID 115964205
5-Ethyl-2-pyrazol-1-ylthiophen-3-amine
CID 10965371
N-(5-ethyl-2-pyrazol-1-ylthiophen-3-yl)acetamide
CID 11031844
1-[4-nitro-5-(1H-pyrazol-1-yl)thiophen-2-yl]ethan-1-one
CID 11096629
1-(3-nitrothiophen-2-yl)-1H-pyrazole
CID 12554486
4-methyl-1-(3-nitrothiophen-2-yl)-1H-pyrazole
CID 68787041
2-[1-Methyl-5-(5-nitrothiophen-2-yl)pyrazol-3-yl]pyridine
CID 117886159
1-(5-Methylthiophen-2-yl)pyrazole
CID 124149019

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole?
The IUPAC name of 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole (CID 11127905) is 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole.
What is the SMILES notation for 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole?
The canonical SMILES for 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole is CCc1cc([N+](=O)[O-])c(-n2cccn2)s1.
What is the InChIKey of 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole?
The InChIKey is GNQFMNZZVNELFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-2-7-6-8(12(13)14)9(15-7)11-5-3-4-10-11/h3-6H,2H2,1H3.
What are the key properties of 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole?
1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole has a molecular weight of 223.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-nitrothiophen-2-yl)pyrazole is sourced from PubChem (CID 11127905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).