2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine

C16H10F3N3O2 — CID 10088178

IUPAC2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)14-3-1-2-11(21-14)15-10(7-20-22-15)9-4-5-12-13(6-9)24-8-23-12/h1-7H,8H2,(H,20,22)
InChIKeyISXNRDZPHJMGIT-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.89
Rot. Bonds2

About 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine

2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine (PubChem CID 10088178) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine
PubChem CID10088178
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)14-3-1-2-11(21-14)15-10(7-20-22-15)9-4-5-12-13(6-9)24-8-23-12/h1-7H,8H2,(H,20,22)
InChIKeyISXNRDZPHJMGIT-UHFFFAOYSA-N
XLogP3.89
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 3401002
2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine
CID 141079495
5-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 166220123
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoropyridine-3-carboxamide
CID 122143847
2-methyl-6-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
CID 58612140
5-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1H-pyrazole
CID 58527204
2-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridine
CID 30877146
2-[4-[4-fluoro-3-(4-methylsulfonylphenyl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
CID 11553254
4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805786
4-(1,3-benzodioxol-5-yl)-2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazole
CID 68885515
4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62824445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine (CID 10088178) is 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is ISXNRDZPHJMGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)14-3-1-2-11(21-14)15-10(7-20-22-15)9-4-5-12-13(6-9)24-8-23-12/h1-7H,8H2,(H,20,22).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine?
2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 333.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 10088178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).