2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine

C11H16F3N3O — CID 106781309

IUPAC2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine
SMILESCOc1cnn(C)c1C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H16F3N3O/c1-17-10(9(18-2)6-16-17)8-4-3-7(5-15-8)11(12,13)14/h6-8,15H,3-5H2,1-2H3
InChIKeyNEQLQVYCQVQHCE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.03
Rot. Bonds2

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

2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine (PubChem CID 106781309) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine
PubChem CID106781309
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine
SMILESCOc1cnn(C)c1C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H16F3N3O/c1-17-10(9(18-2)6-16-17)8-4-3-7(5-15-8)11(12,13)14/h6-8,15H,3-5H2,1-2H3
InChIKeyNEQLQVYCQVQHCE-UHFFFAOYSA-N
XLogP2.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine (CID 106781309) is 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine is COc1cnn(C)c1C1CCC(C(F)(F)F)CN1.
What is the InChIKey of 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine?
The InChIKey is NEQLQVYCQVQHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-17-10(9(18-2)6-16-17)8-4-3-7(5-15-8)11(12,13)14/h6-8,15H,3-5H2,1-2H3.
What are the key properties of 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine?
2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine has a molecular weight of 263.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 106781309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).