1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde

C10H10N2OS — CID 43141286

IUPAC1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(C)cc2C=O)s1
InChIInChI=1S/C10H10N2OS/c1-7-3-4-9(14-7)10-8(6-13)5-12(2)11-10/h3-6H,1-2H3
InChIKeyJIYAJNVEAPGDAK-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.27
Rot. Bonds2

About 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde

1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde (PubChem CID 43141286) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
PubChem CID43141286
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(C)cc2C=O)s1
InChIInChI=1S/C10H10N2OS/c1-7-3-4-9(14-7)10-8(6-13)5-12(2)11-10/h3-6H,1-2H3
InChIKeyJIYAJNVEAPGDAK-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.27
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

1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43324186
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141336
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-4-yl]methanamine
CID 79485670
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
3-(5-chlorothiophen-2-yl)-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61272269
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
CID 96619449
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 63567158
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439093
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
CID 82388354

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde (CID 43141286) is 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde is Cc1ccc(-c2nn(C)cc2C=O)s1.
What is the InChIKey of 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is JIYAJNVEAPGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-3-4-9(14-7)10-8(6-13)5-12(2)11-10/h3-6H,1-2H3.
What are the key properties of 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde?
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 206.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43141286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).