thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone

C9H5F3N2OS — CID 2809203

IUPACthiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1cccs1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)7-3-4-14(13-7)8(15)6-2-1-5-16-6/h1-5H
InChIKeyLKWKAJYVJMQOOM-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.65
Rot. Bonds1

About thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone

thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 2809203) has the molecular formula C9H5F3N2OS and a molecular weight of 246.21 g/mol. Its IUPAC name is thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID2809203
Molecular FormulaC9H5F3N2OS
Molecular Weight246.21 g/mol
Exact Mass246.01
IUPAC Namethiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1cccs1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)7-3-4-14(13-7)8(15)6-2-1-5-16-6/h1-5H
InChIKeyLKWKAJYVJMQOOM-UHFFFAOYSA-N
XLogP2.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone (CID 2809203) is thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(c1cccs1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is LKWKAJYVJMQOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2OS/c10-9(11,12)7-3-4-14(13-7)8(15)6-2-1-5-16-6/h1-5H.
What are the key properties of thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone?
thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 246.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2809203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).