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

C16H12F4N4O — CID 15452276

IUPAC2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(-c2ccc(F)cc2)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H12F4N4O/c1-9-8-21-14(10-3-5-11(17)6-4-10)22-15(9)25-13-7-12(16(18,19)20)23-24(13)2/h3-8H,1-2H3
InChIKeyAJQYZGDTKOPYLE-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.14
Rot. Bonds3

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

2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (PubChem CID 15452276) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
PubChem CID15452276
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(-c2ccc(F)cc2)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H12F4N4O/c1-9-8-21-14(10-3-5-11(17)6-4-10)22-15(9)25-13-7-12(16(18,19)20)23-24(13)2/h3-8H,1-2H3
InChIKeyAJQYZGDTKOPYLE-UHFFFAOYSA-N
XLogP4.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635815
3-(6-(4-Fluorobenzyloxy)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158660
6-(1-isobutyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781216
6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781217
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
1-(4,4-Difluorocyclohexyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146448421
5-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182205
3-Methyl-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 137348598
6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl 4-methylphenyl ether
CID 850309

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (CID 15452276) is 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is Cc1cnc(-c2ccc(F)cc2)nc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The InChIKey is AJQYZGDTKOPYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c1-9-8-21-14(10-3-5-11(17)6-4-10)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-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine has a molecular weight of 352.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is sourced from PubChem (CID 15452276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).