4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine

C9H5F5N4O — CID 156745696

IUPAC4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-n2cc(F)cn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C9H5F5N4O/c1-19-7-5(9(12,13)14)6(11)16-8(17-7)18-3-4(10)2-15-18/h2-3H,1H3
InChIKeyDYQKXZYAJPJWQN-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.97
Rot. Bonds2

About 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine

4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 156745696) has the molecular formula C9H5F5N4O and a molecular weight of 280.16 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID156745696
Molecular FormulaC9H5F5N4O
Molecular Weight280.16 g/mol
Exact Mass280.04
IUPAC Name4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-n2cc(F)cn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C9H5F5N4O/c1-19-7-5(9(12,13)14)6(11)16-8(17-7)18-3-4(10)2-15-18/h2-3H,1H3
InChIKeyDYQKXZYAJPJWQN-UHFFFAOYSA-N
XLogP1.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine (CID 156745696) is 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine is COc1nc(-n2cc(F)cn2)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is DYQKXZYAJPJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N4O/c1-19-7-5(9(12,13)14)6(11)16-8(17-7)18-3-4(10)2-15-18/h2-3H,1H3.
What are the key properties of 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine?
4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 280.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156745696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).