4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C11H7F3N4O — CID 102132809

IUPAC4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESC#CCOc1cc(-n2ccc(C(F)(F)F)n2)ncn1
InChIInChI=1S/C11H7F3N4O/c1-2-5-19-10-6-9(15-7-16-10)18-4-3-8(17-18)11(12,13)14/h1,3-4,6-7H,5H2
InChIKeyDSDHWRBKBZCCBY-UHFFFAOYSA-N
MW268.20 g/mol
LogP1.69
Rot. Bonds3

About 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 102132809) has the molecular formula C11H7F3N4O and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID102132809
Molecular FormulaC11H7F3N4O
Molecular Weight268.20 g/mol
Exact Mass268.06
IUPAC Name4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESC#CCOc1cc(-n2ccc(C(F)(F)F)n2)ncn1
InChIInChI=1S/C11H7F3N4O/c1-2-5-19-10-6-9(15-7-16-10)18-4-3-8(17-18)11(12,13)14/h1,3-4,6-7H,5H2
InChIKeyDSDHWRBKBZCCBY-UHFFFAOYSA-N
XLogP1.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 166627387
4-[2-(5-Methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 166634775
4-[3-(5-Methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
4-Ethoxy-6-pyrazol-1-ylpyrimidine
CID 10702836
4-(4-Chloro-5-methyl-3-trifluoromethyl-1H-pyrazol-1-yl)-6-(prop-2-ynyloxy)pyrimidine
CID 90745637
4-Ethoxy-2-(2-propylpyrazol-3-yl)pyrimidine
CID 121511647
5-Fluoro-4-prop-2-ynoxy-6-pyrazol-1-ylpyrimidine
CID 57538954
5-Fluoro-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidin-4-amine
CID 57818559
4,6-Dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 58282667
6-Chloro-4-methoxy-2-(3-trifluoromethyl-pyrazol-1-yl)-pyrimidine
CID 58282711
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

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 102132809) is 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is C#CCOc1cc(-n2ccc(C(F)(F)F)n2)ncn1.
What is the InChIKey of 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is DSDHWRBKBZCCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O/c1-2-5-19-10-6-9(15-7-16-10)18-4-3-8(17-18)11(12,13)14/h1,3-4,6-7H,5H2.
What are the key properties of 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 268.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 102132809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).