1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole

C12H15F2N5O — CID 167927507

IUPAC1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole
SMILESCc1cnn(C)c1-c1cn(CC2CC(F)(F)CO2)nn1
InChIInChI=1S/C12H15F2N5O/c1-8-4-15-18(2)11(8)10-6-19(17-16-10)5-9-3-12(13,14)7-20-9/h4,6,9H,3,5,7H2,1-2H3
InChIKeyODHFTEYLSFBOKE-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.41
Rot. Bonds3

About 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole

1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole (PubChem CID 167927507) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole.

Molecular Properties

Compound Name1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole
PubChem CID167927507
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole
SMILESCc1cnn(C)c1-c1cn(CC2CC(F)(F)CO2)nn1
InChIInChI=1S/C12H15F2N5O/c1-8-4-15-18(2)11(8)10-6-19(17-16-10)5-9-3-12(13,14)7-20-9/h4,6,9H,3,5,7H2,1-2H3
InChIKeyODHFTEYLSFBOKE-UHFFFAOYSA-N
XLogP1.41
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole?
The IUPAC name of 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole (CID 167927507) is 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole.
What is the SMILES notation for 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole?
The canonical SMILES for 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole is Cc1cnn(C)c1-c1cn(CC2CC(F)(F)CO2)nn1.
What is the InChIKey of 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole?
The InChIKey is ODHFTEYLSFBOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-8-4-15-18(2)11(8)10-6-19(17-16-10)5-9-3-12(13,14)7-20-9/h4,6,9H,3,5,7H2,1-2H3.
What are the key properties of 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole?
1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole has a molecular weight of 283.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole is sourced from PubChem (CID 167927507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).