2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine

C15H11F3N4O — CID 134133946

IUPAC2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2cnn(-c3nccc(C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C15H11F3N4O/c1-23-12-4-2-10(3-5-12)11-8-20-22(9-11)14-19-7-6-13(21-14)15(16,17)18/h2-9H,1H3
InChIKeyXURNGHLSSUFHAI-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 134133946) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID134133946
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2cnn(-c3nccc(C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C15H11F3N4O/c1-23-12-4-2-10(3-5-12)11-8-20-22(9-11)14-19-7-6-13(21-14)15(16,17)18/h2-9H,1H3
InChIKeyXURNGHLSSUFHAI-UHFFFAOYSA-N
XLogP3.36
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine (CID 134133946) is 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine is COc1ccc(-c2cnn(-c3nccc(C(F)(F)F)n3)c2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is XURNGHLSSUFHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-23-12-4-2-10(3-5-12)11-8-20-22(9-11)14-19-7-6-13(21-14)15(16,17)18/h2-9H,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 320.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134133946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).