4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C14H10F6N6 — CID 91371074

IUPAC4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cc(C(F)(F)F)nn1-c1cc(-n2nc(C(F)(F)F)cc2C)ncn1
InChIInChI=1S/C14H10F6N6/c1-7-3-9(13(15,16)17)23-25(7)11-5-12(22-6-21-11)26-8(2)4-10(24-26)14(18,19)20/h3-6H,1-2H3
InChIKeyOLTXQNSHXIKUSZ-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.50
Rot. Bonds2

About 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 91371074) has the molecular formula C14H10F6N6 and a molecular weight of 376.26 g/mol. Its IUPAC name is 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID91371074
Molecular FormulaC14H10F6N6
Molecular Weight376.26 g/mol
Exact Mass376.09
IUPAC Name4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cc(C(F)(F)F)nn1-c1cc(-n2nc(C(F)(F)F)cc2C)ncn1
InChIInChI=1S/C14H10F6N6/c1-7-3-9(13(15,16)17)23-25(7)11-5-12(22-6-21-11)26-8(2)4-10(24-26)14(18,19)20/h3-6H,1-2H3
InChIKeyOLTXQNSHXIKUSZ-UHFFFAOYSA-N
XLogP3.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 702232
5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 165415449
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine
CID 742814
4,6-Bis(3,5-dimethyl-1H-pyrazole-1-yl)pyrimidine
CID 762995
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
6-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4-triazolo[4,3-b][1,2,4,5]tetrazine
CID 578632
5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 671687
2,5-Dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753093
5,7-dimethyl-2-{2-[5-pyrrolidin-1-yl-2-(2,2,2-trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72704535
2-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 24820363
4-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 40458683
7-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4908770

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 91371074) is 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is Cc1cc(C(F)(F)F)nn1-c1cc(-n2nc(C(F)(F)F)cc2C)ncn1.
What is the InChIKey of 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is OLTXQNSHXIKUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N6/c1-7-3-9(13(15,16)17)23-25(7)11-5-12(22-6-21-11)26-8(2)4-10(24-26)14(18,19)20/h3-6H,1-2H3.
What are the key properties of 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 376.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 91371074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).