2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde

C11H10N2O2S — CID 82389757

IUPAC2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde
SMILESCc1sc(C(=O)c2cnn(C)c2)cc1C=O
InChIInChI=1S/C11H10N2O2S/c1-7-8(6-14)3-10(16-7)11(15)9-4-12-13(2)5-9/h3-6H,1-2H3
InChIKeySSVDBJYADFYCMA-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde

2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde (PubChem CID 82389757) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde
PubChem CID82389757
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde
SMILESCc1sc(C(=O)c2cnn(C)c2)cc1C=O
InChIInChI=1S/C11H10N2O2S/c1-7-8(6-14)3-10(16-7)11(15)9-4-12-13(2)5-9/h3-6H,1-2H3
InChIKeySSVDBJYADFYCMA-UHFFFAOYSA-N
XLogP1.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde?
The IUPAC name of 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde (CID 82389757) is 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde is Cc1sc(C(=O)c2cnn(C)c2)cc1C=O.
What is the InChIKey of 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde?
The InChIKey is SSVDBJYADFYCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-8(6-14)3-10(16-7)11(15)9-4-12-13(2)5-9/h3-6H,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde?
2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde has a molecular weight of 234.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 82389757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).