2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C14H11F3N4S — CID 19587653

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H11F3N4S/c1-8-6-9(2)21(20-8)13-18-10(11-4-3-5-22-11)7-12(19-13)14(15,16)17/h3-7H,1-2H3
InChIKeyLCVDLTHJJWCPCG-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.03
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 19587653) has the molecular formula C14H11F3N4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID19587653
Molecular FormulaC14H11F3N4S
Molecular Weight324.33 g/mol
Exact Mass324.07
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H11F3N4S/c1-8-6-9(2)21(20-8)13-18-10(11-4-3-5-22-11)7-12(19-13)14(15,16)17/h3-7H,1-2H3
InChIKeyLCVDLTHJJWCPCG-UHFFFAOYSA-N
XLogP4.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 19587653) is 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is Cc1cc(C)n(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is LCVDLTHJJWCPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4S/c1-8-6-9(2)21(20-8)13-18-10(11-4-3-5-22-11)7-12(19-13)14(15,16)17/h3-7H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 324.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19587653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).