5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine

C13H12F3N3 — CID 118010413

IUPAC5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cc2cn[nH]c2C2CC2)cn1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-4-1-8(6-17-11)5-10-7-18-19-12(10)9-2-3-9/h1,4,6-7,9H,2-3,5H2,(H,18,19)
InChIKeySOPRYCZNGJIFOU-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.29
Rot. Bonds3

About 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine

5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine (PubChem CID 118010413) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine
PubChem CID118010413
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cc2cn[nH]c2C2CC2)cn1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-4-1-8(6-17-11)5-10-7-18-19-12(10)9-2-3-9/h1,4,6-7,9H,2-3,5H2,(H,18,19)
InChIKeySOPRYCZNGJIFOU-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine (CID 118010413) is 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Cc2cn[nH]c2C2CC2)cn1.
What is the InChIKey of 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is SOPRYCZNGJIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)11-4-1-8(6-17-11)5-10-7-18-19-12(10)9-2-3-9/h1,4,6-7,9H,2-3,5H2,(H,18,19).
What are the key properties of 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine?
5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 267.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118010413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).