4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine

C11H8F6N4 — CID 15496827

IUPAC4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C11H8F6N4/c1-5-3-7(10(12,13)14)19-9(18-5)21-8(11(15,16)17)4-6(2)20-21/h3-4H,1-2H3
InChIKeyOQWVROQYCNMQBP-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.32
Rot. Bonds1

About 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 15496827) has the molecular formula C11H8F6N4 and a molecular weight of 310.20 g/mol. Its IUPAC name is 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID15496827
Molecular FormulaC11H8F6N4
Molecular Weight310.20 g/mol
Exact Mass310.07
IUPAC Name4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C11H8F6N4/c1-5-3-7(10(12,13)14)19-9(18-5)21-8(11(15,16)17)4-6(2)20-21/h3-4H,1-2H3
InChIKeyOQWVROQYCNMQBP-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine (CID 15496827) is 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(-n2nc(C)cc2C(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is OQWVROQYCNMQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N4/c1-5-3-7(10(12,13)14)19-9(18-5)21-8(11(15,16)17)4-6(2)20-21/h3-4H,1-2H3.
What are the key properties of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 310.20 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15496827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).