2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

C16H12ClF3N4O — CID 15452281

IUPAC2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(-c2cccc(Cl)c2)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H12ClF3N4O/c1-9-8-21-14(10-4-3-5-11(17)6-10)22-15(9)25-13-7-12(16(18,19)20)23-24(13)2/h3-8H,1-2H3
InChIKeyXBVMBWWRLJQWBN-UHFFFAOYSA-N
MW368.75 g/mol
LogP4.65
Rot. Bonds3

About 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (PubChem CID 15452281) has the molecular formula C16H12ClF3N4O and a molecular weight of 368.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
PubChem CID15452281
Molecular FormulaC16H12ClF3N4O
Molecular Weight368.75 g/mol
Exact Mass368.07
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(-c2cccc(Cl)c2)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H12ClF3N4O/c1-9-8-21-14(10-4-3-5-11(17)6-10)22-15(9)25-13-7-12(16(18,19)20)23-24(13)2/h3-8H,1-2H3
InChIKeyXBVMBWWRLJQWBN-UHFFFAOYSA-N
XLogP4.65
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (CID 15452281) is 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is Cc1cnc(-c2cccc(Cl)c2)nc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The InChIKey is XBVMBWWRLJQWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O/c1-9-8-21-14(10-4-3-5-11(17)6-10)22-15(9)25-13-7-12(16(18,19)20)23-24(13)2/h3-8H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine has a molecular weight of 368.75 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is sourced from PubChem (CID 15452281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).