5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine

C10H8ClF3N4O — CID 132512669

IUPAC5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine
SMILESCc1cc(Oc2ncc(Cl)cn2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H8ClF3N4O/c1-6-2-8(18(17-6)5-10(12,13)14)19-9-15-3-7(11)4-16-9/h2-4H,5H2,1H3
InChIKeyRWCMONBEYGTMDY-UHFFFAOYSA-N
MW292.65 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine

5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine (PubChem CID 132512669) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine
PubChem CID132512669
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine
SMILESCc1cc(Oc2ncc(Cl)cn2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H8ClF3N4O/c1-6-2-8(18(17-6)5-10(12,13)14)19-9-15-3-7(11)4-16-9/h2-4H,5H2,1H3
InChIKeyRWCMONBEYGTMDY-UHFFFAOYSA-N
XLogP2.99
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine?
The IUPAC name of 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine (CID 132512669) is 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine.
What is the SMILES notation for 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine?
The canonical SMILES for 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine is Cc1cc(Oc2ncc(Cl)cn2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine?
The InChIKey is RWCMONBEYGTMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-6-2-8(18(17-6)5-10(12,13)14)19-9-15-3-7(11)4-16-9/h2-4H,5H2,1H3.
What are the key properties of 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine?
5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine has a molecular weight of 292.65 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxypyrimidine is sourced from PubChem (CID 132512669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).