3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole

C14H18F3N5 — CID 56781767

IUPAC3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CN(Cc3nccn3CC(F)(F)F)C2)n1
InChIInChI=1S/C14H18F3N5/c1-10-5-11(2)22(19-10)12-6-20(7-12)8-13-18-3-4-21(13)9-14(15,16)17/h3-5,12H,6-9H2,1-2H3
InChIKeyQISLZNWYZDPWDK-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.32
Rot. Bonds4

About 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole

3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole (PubChem CID 56781767) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole
PubChem CID56781767
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CN(Cc3nccn3CC(F)(F)F)C2)n1
InChIInChI=1S/C14H18F3N5/c1-10-5-11(2)22(19-10)12-6-20(7-12)8-13-18-3-4-21(13)9-14(15,16)17/h3-5,12H,6-9H2,1-2H3
InChIKeyQISLZNWYZDPWDK-UHFFFAOYSA-N
XLogP2.32
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole (CID 56781767) is 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole is Cc1cc(C)n(C2CN(Cc3nccn3CC(F)(F)F)C2)n1.
What is the InChIKey of 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole?
The InChIKey is QISLZNWYZDPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-10-5-11(2)22(19-10)12-6-20(7-12)8-13-18-3-4-21(13)9-14(15,16)17/h3-5,12H,6-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole?
3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole has a molecular weight of 313.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 56781767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).