2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C13H9F3N4S — CID 3245539

IUPAC2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1cnn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H9F3N4S/c1-8-6-17-20(7-8)12-18-9(10-3-2-4-21-10)5-11(19-12)13(14,15)16/h2-7H,1H3
InChIKeyCDMPWARTYLDZCE-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.72
Rot. Bonds2

About 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 3245539) has the molecular formula C13H9F3N4S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID3245539
Molecular FormulaC13H9F3N4S
Molecular Weight310.30 g/mol
Exact Mass310.05
IUPAC Name2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1cnn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H9F3N4S/c1-8-6-17-20(7-8)12-18-9(10-3-2-4-21-10)5-11(19-12)13(14,15)16/h2-7H,1H3
InChIKeyCDMPWARTYLDZCE-UHFFFAOYSA-N
XLogP3.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 3245539) is 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is Cc1cnn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is CDMPWARTYLDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S/c1-8-6-17-20(7-8)12-18-9(10-3-2-4-21-10)5-11(19-12)13(14,15)16/h2-7H,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 310.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3245539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).