2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine

C11H12F3N3S — CID 98018921

IUPAC2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESCn1nc(C(F)(F)F)c(CCN)c1-c1cccs1
InChIInChI=1S/C11H12F3N3S/c1-17-9(8-3-2-6-18-8)7(4-5-15)10(16-17)11(12,13)14/h2-3,6H,4-5,15H2,1H3
InChIKeyCQSCDRRVMVXAMV-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.67
Rot. Bonds3

About 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine

2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine (PubChem CID 98018921) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
PubChem CID98018921
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESCn1nc(C(F)(F)F)c(CCN)c1-c1cccs1
InChIInChI=1S/C11H12F3N3S/c1-17-9(8-3-2-6-18-8)7(4-5-15)10(16-17)11(12,13)14/h2-3,6H,4-5,15H2,1H3
InChIKeyCQSCDRRVMVXAMV-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine (CID 98018921) is 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine is Cn1nc(C(F)(F)F)c(CCN)c1-c1cccs1.
What is the InChIKey of 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The InChIKey is CQSCDRRVMVXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-17-9(8-3-2-6-18-8)7(4-5-15)10(16-17)11(12,13)14/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine?
2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine has a molecular weight of 275.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 98018921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).