4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine

C19H11ClF3N5 — CID 141288900

IUPAC4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2cc(-c3ccncc3)n[nH]2)n1
InChIInChI=1S/C19H11ClF3N5/c20-13-3-1-11(2-4-13)14-10-17(19(21,22)23)26-18(25-14)16-9-15(27-28-16)12-5-7-24-8-6-12/h1-10H,(H,27,28)
InChIKeyXLSWGQJKDAJUIH-UHFFFAOYSA-N
MW401.78 g/mol
LogP5.27
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine

4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 141288900) has the molecular formula C19H11ClF3N5 and a molecular weight of 401.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID141288900
Molecular FormulaC19H11ClF3N5
Molecular Weight401.78 g/mol
Exact Mass401.07
IUPAC Name4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2cc(-c3ccncc3)n[nH]2)n1
InChIInChI=1S/C19H11ClF3N5/c20-13-3-1-11(2-4-13)14-10-17(19(21,22)23)26-18(25-14)16-9-15(27-28-16)12-5-7-24-8-6-12/h1-10H,(H,27,28)
InChIKeyXLSWGQJKDAJUIH-UHFFFAOYSA-N
XLogP5.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.78
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 68697302
4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 57468700
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 1419469
4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141288898
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonamide
CID 57468918
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonic acid
CID 57468919
5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide
CID 57468902
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole
CID 67759328

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine (CID 141288900) is 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2cc(-c3ccncc3)n[nH]2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is XLSWGQJKDAJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N5/c20-13-3-1-11(2-4-13)14-10-17(19(21,22)23)26-18(25-14)16-9-15(27-28-16)12-5-7-24-8-6-12/h1-10H,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine?
4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 401.78 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141288900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).