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

C10H6ClF3N2OS — CID 22288389

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
SMILESCn1nc(-c2ccc(C(=O)Cl)s2)cc1C(F)(F)F
InChIInChI=1S/C10H6ClF3N2OS/c1-16-8(10(12,13)14)4-5(15-16)6-2-3-7(18-6)9(11)17/h2-4H,1H3
InChIKeyOKRIJNFVKKCFLD-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.55
Rot. Bonds2

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

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride (PubChem CID 22288389) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
PubChem CID22288389
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
SMILESCn1nc(-c2ccc(C(=O)Cl)s2)cc1C(F)(F)F
InChIInChI=1S/C10H6ClF3N2OS/c1-16-8(10(12,13)14)4-5(15-16)6-2-3-7(18-6)9(11)17/h2-4H,1H3
InChIKeyOKRIJNFVKKCFLD-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-carbonyl chloride?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride (CID 22288389) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride is Cn1nc(-c2ccc(C(=O)Cl)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride?
The InChIKey is OKRIJNFVKKCFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c1-16-8(10(12,13)14)4-5(15-16)6-2-3-7(18-6)9(11)17/h2-4H,1H3.
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride has a molecular weight of 294.69 g/mol, XLogP of 3.55, 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-carbonyl chloride is sourced from PubChem (CID 22288389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).