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

C11H10N2O2S — CID 82389755

IUPAC5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H10N2O2S/c1-7-10(3-9(6-14)16-7)11(15)8-4-12-13(2)5-8/h3-6H,1-2H3
InChIKeyXNHWVZLSHSIHQN-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.83
Rot. Bonds3

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

5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde (PubChem CID 82389755) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde
PubChem CID82389755
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H10N2O2S/c1-7-10(3-9(6-14)16-7)11(15)8-4-12-13(2)5-8/h3-6H,1-2H3
InChIKeyXNHWVZLSHSIHQN-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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Related Compounds

2-methyl-5-(1-methylpyrazole-4-carbonyl)thiophene-3-carbaldehyde
CID 82389757
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
CID 102830803
5-methyl-4-(5-methyl-1,3-thiazole-4-carbonyl)thiophene-2-carbaldehyde
CID 82382507
(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanone
CID 43463309
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
5-formyl-N,N,2-trimethylthiophene-3-carboxamide
CID 58724865
(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463314
(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963984
(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone
CID 105082301
(3-fluoro-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 79704305

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde (CID 82389755) is 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde is Cc1sc(C=O)cc1C(=O)c1cnn(C)c1.
What is the InChIKey of 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde?
The InChIKey is XNHWVZLSHSIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-10(3-9(6-14)16-7)11(15)8-4-12-13(2)5-8/h3-6H,1-2H3.
What are the key properties of 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde?
5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-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 5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82389755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).