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

C10H8N2O2S — CID 82392739

IUPAC2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde
SMILESCc1sc(C(=O)c2cn[nH]c2)cc1C=O
InChIInChI=1S/C10H8N2O2S/c1-6-7(5-13)2-9(15-6)10(14)8-3-11-12-4-8/h2-5H,1H3,(H,11,12)
InChIKeyAEIDWDDMEAUUMC-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.82
Rot. Bonds3

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

2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde (PubChem CID 82392739) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde
PubChem CID82392739
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde
SMILESCc1sc(C(=O)c2cn[nH]c2)cc1C=O
InChIInChI=1S/C10H8N2O2S/c1-6-7(5-13)2-9(15-6)10(14)8-3-11-12-4-8/h2-5H,1H3,(H,11,12)
InChIKeyAEIDWDDMEAUUMC-UHFFFAOYSA-N
XLogP1.82
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde?
The IUPAC name of 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde (CID 82392739) is 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde is Cc1sc(C(=O)c2cn[nH]c2)cc1C=O.
What is the InChIKey of 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde?
The InChIKey is AEIDWDDMEAUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-7(5-13)2-9(15-6)10(14)8-3-11-12-4-8/h2-5H,1H3,(H,11,12).
What are the key properties of 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde?
2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde has a molecular weight of 220.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrazole-4-carbonyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 82392739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).