5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

C10H9F3N4O — CID 141107683

IUPAC5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cncnc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H9F3N4O/c1-6-4-14-5-15-9(6)18-8-3-7(10(11,12)13)16-17(8)2/h3-5H,1-2H3
InChIKeyNVPFEDHDRWVCBU-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.33
Rot. Bonds2

About 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (PubChem CID 141107683) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.

Molecular Properties

Compound Name5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
PubChem CID141107683
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cncnc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H9F3N4O/c1-6-4-14-5-15-9(6)18-8-3-7(10(11,12)13)16-17(8)2/h3-5H,1-2H3
InChIKeyNVPFEDHDRWVCBU-UHFFFAOYSA-N
XLogP2.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The IUPAC name of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (CID 141107683) is 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.
What is the SMILES notation for 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The canonical SMILES for 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is Cc1cncnc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The InChIKey is NVPFEDHDRWVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-4-14-5-15-9(6)18-8-3-7(10(11,12)13)16-17(8)2/h3-5H,1-2H3.
What are the key properties of 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine has a molecular weight of 258.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is sourced from PubChem (CID 141107683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).