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

C11H10ClF3N4O — CID 106766862

IUPAC4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCC(C)n1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H10ClF3N4O/c1-6(2)19-5-7(4-16-19)20-9-3-8(12)17-10(18-9)11(13,14)15/h3-6H,1-2H3
InChIKeyRKUUMJAFTPQYFN-UHFFFAOYSA-N
MW306.68 g/mol
LogP3.72
Rot. Bonds3

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

4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine (PubChem CID 106766862) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
PubChem CID106766862
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCC(C)n1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H10ClF3N4O/c1-6(2)19-5-7(4-16-19)20-9-3-8(12)17-10(18-9)11(13,14)15/h3-6H,1-2H3
InChIKeyRKUUMJAFTPQYFN-UHFFFAOYSA-N
XLogP3.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-((1-methyl-1H-pyrazol-4-yl)oxy)pyrimidine
CID 100731835
2,4-dichloro-6-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine
CID 130569656
4-Chloro-6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidine
CID 164673348
4-Chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766859
4-Chloro-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766861
6-(1-methylpyrazol-4-yl)oxy-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774797
N-methyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774798
N-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774799
6-(1-ethylpyrazol-4-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774800
N-ethyl-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774801
6-(1-Ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774803
N-methyl-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine (CID 106766862) is 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine is CC(C)n1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is RKUUMJAFTPQYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-6(2)19-5-7(4-16-19)20-9-3-8(12)17-10(18-9)11(13,14)15/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 306.68 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).