1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine

C14H18F3N3 — CID 122484654

IUPAC1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine
SMILESCc1nn(C)c(N2C=CC(C)(C)C=C2)c1CC(F)(F)F
InChIInChI=1S/C14H18F3N3/c1-10-11(9-14(15,16)17)12(19(4)18-10)20-7-5-13(2,3)6-8-20/h5-8H,9H2,1-4H3
InChIKeyKTOPORARLYKLLC-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.71
Rot. Bonds2

About 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine

1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine (PubChem CID 122484654) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine.

Molecular Properties

Compound Name1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine
PubChem CID122484654
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine
SMILESCc1nn(C)c(N2C=CC(C)(C)C=C2)c1CC(F)(F)F
InChIInChI=1S/C14H18F3N3/c1-10-11(9-14(15,16)17)12(19(4)18-10)20-7-5-13(2,3)6-8-20/h5-8H,9H2,1-4H3
InChIKeyKTOPORARLYKLLC-UHFFFAOYSA-N
XLogP3.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine?
The IUPAC name of 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine (CID 122484654) is 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine.
What is the SMILES notation for 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine?
The canonical SMILES for 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine is Cc1nn(C)c(N2C=CC(C)(C)C=C2)c1CC(F)(F)F.
What is the InChIKey of 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine?
The InChIKey is KTOPORARLYKLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-10-11(9-14(15,16)17)12(19(4)18-10)20-7-5-13(2,3)6-8-20/h5-8H,9H2,1-4H3.
What are the key properties of 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine?
1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine has a molecular weight of 285.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-4-(2,2,2-trifluoroethyl)pyrazol-5-yl]-4,4-dimethylpyridine is sourced from PubChem (CID 122484654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).