5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine

C10H8F3N3O — CID 141441735

IUPAC5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine
SMILESCOc1ccn(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C10H8F3N3O/c1-17-9-4-5-16(15-9)7-2-3-8(14-6-7)10(11,12)13/h2-6H,1H3
InChIKeyQFSAVVZWHKZLLP-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.29
Rot. Bonds2

About 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine

5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine (PubChem CID 141441735) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine
PubChem CID141441735
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine
SMILESCOc1ccn(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C10H8F3N3O/c1-17-9-4-5-16(15-9)7-2-3-8(14-6-7)10(11,12)13/h2-6H,1H3
InChIKeyQFSAVVZWHKZLLP-UHFFFAOYSA-N
XLogP2.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine (CID 141441735) is 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine is COc1ccn(-c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is QFSAVVZWHKZLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-17-9-4-5-16(15-9)7-2-3-8(14-6-7)10(11,12)13/h2-6H,1H3.
What are the key properties of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine?
5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 243.19 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 141441735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).