2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine

C14H9F3N4O — CID 51106333

IUPAC2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2cccc(-c3cn[nH]c3)c2)n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)12-4-5-18-13(21-12)22-11-3-1-2-9(6-11)10-7-19-20-8-10/h1-8H,(H,19,20)
InChIKeyGJPSEUPURKCBKQ-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.68
Rot. Bonds3

About 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine

2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine (PubChem CID 51106333) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine
PubChem CID51106333
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2cccc(-c3cn[nH]c3)c2)n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)12-4-5-18-13(21-12)22-11-3-1-2-9(6-11)10-7-19-20-8-10/h1-8H,(H,19,20)
InChIKeyGJPSEUPURKCBKQ-UHFFFAOYSA-N
XLogP3.68
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine (CID 51106333) is 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Oc2cccc(-c3cn[nH]c3)c2)n1.
What is the InChIKey of 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine?
The InChIKey is GJPSEUPURKCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)12-4-5-18-13(21-12)22-11-3-1-2-9(6-11)10-7-19-20-8-10/h1-8H,(H,19,20).
What are the key properties of 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine?
2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine has a molecular weight of 306.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 51106333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).