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

C9H6ClF3N4O — CID 106766859

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCn1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C9H6ClF3N4O/c1-17-4-5(3-14-17)18-7-2-6(10)15-8(16-7)9(11,12)13/h2-4H,1H3
InChIKeyIIGAOHSDXJHFED-UHFFFAOYSA-N
MW278.62 g/mol
LogP2.67
Rot. Bonds2

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

4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine (PubChem CID 106766859) has the molecular formula C9H6ClF3N4O and a molecular weight of 278.62 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
PubChem CID106766859
Molecular FormulaC9H6ClF3N4O
Molecular Weight278.62 g/mol
Exact Mass278.02
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCn1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C9H6ClF3N4O/c1-17-4-5(3-14-17)18-7-2-6(10)15-8(16-7)9(11,12)13/h2-4H,1H3
InChIKeyIIGAOHSDXJHFED-UHFFFAOYSA-N
XLogP2.67
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766861
4-Chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766862
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
6-(1-Propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine (CID 106766859) is 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine is Cn1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is IIGAOHSDXJHFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4O/c1-17-4-5(3-14-17)18-7-2-6(10)15-8(16-7)9(11,12)13/h2-4H,1H3.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 278.62 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).