4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine

C9H6ClF3N4O — CID 106766828

IUPAC4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C9H6ClF3N4O/c1-4-2-7(17-16-4)18-6-3-5(10)14-8(15-6)9(11,12)13/h2-3H,1H3,(H,16,17)
InChIKeyDGIPPILSZKJJSU-UHFFFAOYSA-N
MW278.62 g/mol
LogP2.97
Rot. Bonds2

About 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine

4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine (PubChem CID 106766828) has the molecular formula C9H6ClF3N4O and a molecular weight of 278.62 g/mol. Its IUPAC name is 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine
PubChem CID106766828
Molecular FormulaC9H6ClF3N4O
Molecular Weight278.62 g/mol
Exact Mass278.02
IUPAC Name4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C9H6ClF3N4O/c1-4-2-7(17-16-4)18-6-3-5(10)14-8(15-6)9(11,12)13/h2-3H,1H3,(H,16,17)
InChIKeyDGIPPILSZKJJSU-UHFFFAOYSA-N
XLogP2.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[(5-methyl-1H-pyrazol-3-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

2-Chloro-6-methyl-4-(1-methyl-3-trifluoromethyl-5-pyrazolyloxy)pyrimidine
CID 53771522
5-chloro-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyrimidine
CID 162441319
2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine
CID 81341658
4-Chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766830
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774694
N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774696
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774697
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774699
6-(2,5-dimethylpyrazol-3-yl)oxy-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774700
6-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774702
6-(2,5-Dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774704
[6-(2,5-Dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776469

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine (CID 106766828) is 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine is Cc1cc(Oc2cc(Cl)nc(C(F)(F)F)n2)n[nH]1.
What is the InChIKey of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine?
The InChIKey is DGIPPILSZKJJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4O/c1-4-2-7(17-16-4)18-6-3-5(10)14-8(15-6)9(11,12)13/h2-3H,1H3,(H,16,17).
What are the key properties of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine?
4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine has a molecular weight of 278.62 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).