5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde

C8H5N3O2S — CID 129090171

IUPAC5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2ccn[nH]2)c(N=O)s1
InChIInChI=1S/C8H5N3O2S/c12-4-5-3-6(8(11-13)14-5)7-1-2-9-10-7/h1-4H,(H,9,10)
InChIKeyHMUANWQVCBFFAF-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.35
Rot. Bonds3

About 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde

5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde (PubChem CID 129090171) has the molecular formula C8H5N3O2S and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde
PubChem CID129090171
Molecular FormulaC8H5N3O2S
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Name5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2ccn[nH]2)c(N=O)s1
InChIInChI=1S/C8H5N3O2S/c12-4-5-3-6(8(11-13)14-5)7-1-2-9-10-7/h1-4H,(H,9,10)
InChIKeyHMUANWQVCBFFAF-UHFFFAOYSA-N
XLogP2.35
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1H-pyrazol-5-yl)phenyl]prop-2-enal
CID 169459698
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[4-formyl-5,7-dimethyl-3-(1H-pyrazol-5-yl)indol-1-yl] thiohypoiodite
CID 126733656
7-oxo-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarbaldehyde
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5-(4-chloro-2-isocyanatophenyl)-1H-pyrazole
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2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 2805447
3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 154069923
2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde
CID 123275622
4-hydroxy-3-(1H-pyrazol-5-yl)benzamide
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3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
CID 144604013
3-(1H-pyrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 1482398
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CID 140639034

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde (CID 129090171) is 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde is O=Cc1cc(-c2ccn[nH]2)c(N=O)s1.
What is the InChIKey of 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde?
The InChIKey is HMUANWQVCBFFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S/c12-4-5-3-6(8(11-13)14-5)7-1-2-9-10-7/h1-4H,(H,9,10).
What are the key properties of 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde?
5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde has a molecular weight of 207.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-4-(1H-pyrazol-5-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 129090171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).