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

C16H11F5N4O — CID 71105444

IUPAC2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(OCc2c(F)cccc2F)nc1
InChIInChI=1S/C16H11F5N4O/c1-25-13(5-14(24-25)16(19,20)21)9-6-22-15(23-7-9)26-8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3
InChIKeyFYJBQHSNWIEMCF-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.75
Rot. Bonds4

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

2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine (PubChem CID 71105444) has the molecular formula C16H11F5N4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine
PubChem CID71105444
Molecular FormulaC16H11F5N4O
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(OCc2c(F)cccc2F)nc1
InChIInChI=1S/C16H11F5N4O/c1-25-13(5-14(24-25)16(19,20)21)9-6-22-15(23-7-9)26-8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3
InChIKeyFYJBQHSNWIEMCF-UHFFFAOYSA-N
XLogP3.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine?
The IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine (CID 71105444) is 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine is Cn1nc(C(F)(F)F)cc1-c1cnc(OCc2c(F)cccc2F)nc1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine?
The InChIKey is FYJBQHSNWIEMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4O/c1-25-13(5-14(24-25)16(19,20)21)9-6-22-15(23-7-9)26-8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3.
What are the key properties of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine?
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine has a molecular weight of 370.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine is sourced from PubChem (CID 71105444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).