4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine

C10H8ClF3N4O — CID 106766830

IUPAC4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H8ClF3N4O/c1-5-3-8(18(2)17-5)19-7-4-6(11)15-9(16-7)10(12,13)14/h3-4H,1-2H3
InChIKeyCVDXLTTWFBONKU-UHFFFAOYSA-N
MW292.65 g/mol
LogP2.98
Rot. Bonds2

About 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine (PubChem CID 106766830) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine
PubChem CID106766830
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H8ClF3N4O/c1-5-3-8(18(2)17-5)19-7-4-6(11)15-9(16-7)10(12,13)14/h3-4H,1-2H3
InChIKeyCVDXLTTWFBONKU-UHFFFAOYSA-N
XLogP2.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Chloromethyl)-7-ethoxy-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 25489712
5-Ethoxy-2-methyl-7-trifluoromethylpyrazolo-[1,5-a]pyrimidine
CID 42640735
2-Amino-4-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056711
2-Iodo-6-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056712
2-Chloro-6-methyl-4-(1-methyl-3-trifluoromethyl-5-pyrazolyloxy)pyrimidine
CID 53771522
5-Chloro-2-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-yloxy]pyrimidine
CID 132512669
5-Methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 141107683
4-(2,5-Dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-amine
CID 81346406
2-Chloro-4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidine
CID 81346593
4-Chloro-2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
CID 106766811
4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766828
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine (CID 106766830) is 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine is Cc1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)n(C)n1.
What is the InChIKey of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is CVDXLTTWFBONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-5-3-8(18(2)17-5)19-7-4-6(11)15-9(16-7)10(12,13)14/h3-4H,1-2H3.
What are the key properties of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 292.65 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).