[3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C11H16FN3O — CID 121020730

IUPAC[3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CF)C1
InChIInChI=1S/C11H16FN3O/c1-7-10(8(2)14(3)13-7)11(16)15-5-9(4-12)6-15/h9H,4-6H2,1-3H3
InChIKeyKSZCHMQNQHEAJR-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.08
Rot. Bonds2

About [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 121020730) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID121020730
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name[3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CF)C1
InChIInChI=1S/C11H16FN3O/c1-7-10(8(2)14(3)13-7)11(16)15-5-9(4-12)6-15/h9H,4-6H2,1-3H3
InChIKeyKSZCHMQNQHEAJR-UHFFFAOYSA-N
XLogP1.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 121020730) is [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CC(CF)C1.
What is the InChIKey of [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is KSZCHMQNQHEAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-10(8(2)14(3)13-7)11(16)15-5-9(4-12)6-15/h9H,4-6H2,1-3H3.
What are the key properties of [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 225.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)azetidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 121020730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).