1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde

C9H6F2N2OS — CID 121211269

IUPAC1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccsc2)nn1C(F)F
InChIInChI=1S/C9H6F2N2OS/c10-9(11)13-7(4-14)3-8(12-13)6-1-2-15-5-6/h1-5,9H
InChIKeyPBONFYRWIBFVEY-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.82
Rot. Bonds3

About 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde

1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde (PubChem CID 121211269) has the molecular formula C9H6F2N2OS and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
PubChem CID121211269
Molecular FormulaC9H6F2N2OS
Molecular Weight228.22 g/mol
Exact Mass228.02
IUPAC Name1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccsc2)nn1C(F)F
InChIInChI=1S/C9H6F2N2OS/c10-9(11)13-7(4-14)3-8(12-13)6-1-2-15-5-6/h1-5,9H
InChIKeyPBONFYRWIBFVEY-UHFFFAOYSA-N
XLogP2.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole
CID 121211186
1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
CID 121211266
2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid
CID 122239458
2-(2-aminoethyl)-6-thiophen-3-ylpyridazin-3-one
CID 122239427
1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde
CID 87327068
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214181
5-thiophen-3-ylthiophene-2-carbaldehyde
CID 4674816
1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214182
5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-methyl-3-thiophen-3-ylpyrazole
CID 171111499
4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine
CID 91811759
1-propan-2-yl-3-thiophen-3-ylpyrazole
CID 89311122
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
CID 121211971

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
The IUPAC name of 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde (CID 121211269) is 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde.
What is the SMILES notation for 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
The canonical SMILES for 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde is O=Cc1cc(-c2ccsc2)nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
The InChIKey is PBONFYRWIBFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS/c10-9(11)13-7(4-14)3-8(12-13)6-1-2-15-5-6/h1-5,9H.
What are the key properties of 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde has a molecular weight of 228.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde is sourced from PubChem (CID 121211269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).