2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine

C11H10ClF3N4O — CID 114562141

IUPAC2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
SMILESCCCn1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)cn1
InChIInChI=1S/C11H10ClF3N4O/c1-2-3-19-6-7(5-16-19)20-9-4-8(11(13,14)15)17-10(12)18-9/h4-6H,2-3H2,1H3
InChIKeyGGBRBKIHXFOFPR-UHFFFAOYSA-N
MW306.68 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine

2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine (PubChem CID 114562141) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
PubChem CID114562141
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
SMILESCCCn1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)cn1
InChIInChI=1S/C11H10ClF3N4O/c1-2-3-19-6-7(5-16-19)20-9-4-8(11(13,14)15)17-10(12)18-9/h4-6H,2-3H2,1H3
InChIKeyGGBRBKIHXFOFPR-UHFFFAOYSA-N
XLogP3.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 166627387
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-Fluoro-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidin-4-amine
CID 57818559
4-Methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 59533461
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoro-4-methylpyrimidine
CID 118311848
5-Chloro-2-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-yloxy]pyrimidine
CID 132512669
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide
CID 141107623
5-Bromo-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 141107657
5-Methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 141107683
4-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine
CID 141107727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine (CID 114562141) is 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine is CCCn1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is GGBRBKIHXFOFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-2-3-19-6-7(5-16-19)20-9-4-8(11(13,14)15)17-10(12)18-9/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 306.68 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).