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

C14H10F6N6O2 — CID 87829538

IUPAC4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(-n2cc(C(F)(F)F)cn2)nc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C14H10F6N6O2/c1-25-11(3-8(24-25)14(18,19)20)28-12-22-9(4-10(23-12)27-2)26-6-7(5-21-26)13(15,16)17/h3-6H,1-2H3
InChIKeySIPJPDSUSPKEOL-UHFFFAOYSA-N
MW408.26 g/mol
LogP3.23
Rot. Bonds4

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

4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 87829538) has the molecular formula C14H10F6N6O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID87829538
Molecular FormulaC14H10F6N6O2
Molecular Weight408.26 g/mol
Exact Mass408.08
IUPAC Name4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(-n2cc(C(F)(F)F)cn2)nc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C14H10F6N6O2/c1-25-11(3-8(24-25)14(18,19)20)28-12-22-9(4-10(23-12)27-2)26-6-7(5-21-26)13(15,16)17/h3-6H,1-2H3
InChIKeySIPJPDSUSPKEOL-UHFFFAOYSA-N
XLogP3.23
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 87829538) is 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is COc1cc(-n2cc(C(F)(F)F)cn2)nc(Oc2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is SIPJPDSUSPKEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N6O2/c1-25-11(3-8(24-25)14(18,19)20)28-12-22-9(4-10(23-12)27-2)26-6-7(5-21-26)13(15,16)17/h3-6H,1-2H3.
What are the key properties of 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 408.26 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 87829538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).