2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine

C12H7F3N4S — CID 2796020

IUPAC2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(-n2ccc(-c3cccs3)n2)n1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)10-3-5-16-11(17-10)19-6-4-8(18-19)9-2-1-7-20-9/h1-7H
InChIKeyFSVLSMYIMJCGBK-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.41
Rot. Bonds2

About 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine

2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 2796020) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID2796020
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(-n2ccc(-c3cccs3)n2)n1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)10-3-5-16-11(17-10)19-6-4-8(18-19)9-2-1-7-20-9/h1-7H
InChIKeyFSVLSMYIMJCGBK-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine (CID 2796020) is 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(-n2ccc(-c3cccs3)n2)n1.
What is the InChIKey of 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is FSVLSMYIMJCGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)10-3-5-16-11(17-10)19-6-4-8(18-19)9-2-1-7-20-9/h1-7H.
What are the key properties of 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 296.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-ylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2796020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).