5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

C10H9F3N4O — CID 122456169

IUPAC5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1nn(-c2cnc(C(F)(F)F)nc2)cc1C
InChIInChI=1S/C10H9F3N4O/c1-6-5-17(16-8(6)18-2)7-3-14-9(15-4-7)10(11,12)13/h3-5H,1-2H3
InChIKeyGYDFIBLOKZUTJL-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.00
Rot. Bonds2

About 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 122456169) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID122456169
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1nn(-c2cnc(C(F)(F)F)nc2)cc1C
InChIInChI=1S/C10H9F3N4O/c1-6-5-17(16-8(6)18-2)7-3-14-9(15-4-7)10(11,12)13/h3-5H,1-2H3
InChIKeyGYDFIBLOKZUTJL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 122456169) is 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is COc1nn(-c2cnc(C(F)(F)F)nc2)cc1C.
What is the InChIKey of 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is GYDFIBLOKZUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-5-17(16-8(6)18-2)7-3-14-9(15-4-7)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 258.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122456169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).