4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine

C8H5F3N4 — CID 167422581

IUPAC4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2cn[nH]c2)n1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-12-2-1-6(15-7)5-3-13-14-4-5/h1-4H,(H,13,14)
InChIKeyQDKQYAJTLLDSOU-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.89
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine

4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 167422581) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID167422581
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2cn[nH]c2)n1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-12-2-1-6(15-7)5-3-13-14-4-5/h1-4H,(H,13,14)
InChIKeyQDKQYAJTLLDSOU-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903673
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline
CID 170777807
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidine
CID 68627815
2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline
CID 166393711
2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine
CID 51106333
4,5-dimethyl-6-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
CID 39746123
2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 174796862
4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
CID 116903682

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine (CID 167422581) is 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(-c2cn[nH]c2)n1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is QDKQYAJTLLDSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)7-12-2-1-6(15-7)5-3-13-14-4-5/h1-4H,(H,13,14).
What are the key properties of 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine?
4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 214.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167422581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).