5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde

C10H7F3N2OS — CID 2775667

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
SMILESCn1nc(-c2ccc(C=O)s2)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-5H,1H3
InChIKeyITUYPRXQRPMRTL-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.98
Rot. Bonds2

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde (PubChem CID 2775667) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
PubChem CID2775667
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
SMILESCn1nc(-c2ccc(C=O)s2)cc1C(F)(F)F
InChIInChI=1S/C10H7F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-5H,1H3
InChIKeyITUYPRXQRPMRTL-UHFFFAOYSA-N
XLogP2.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde (CID 2775667) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde is Cn1nc(-c2ccc(C=O)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde?
The InChIKey is ITUYPRXQRPMRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-5H,1H3.
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde has a molecular weight of 260.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 2775667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).