[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone

C16H16F3N3O2 — CID 70729638

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-11-2-1-3-13(10-11)24-12-5-8-21(9-6-12)15(23)14-4-7-20-22(14)16(18)19/h1-4,7,10,12,16H,5-6,8-9H2
InChIKeyGPQYFJPSRNWSKJ-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.10
Rot. Bonds4

About [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone

[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 70729638) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID70729638
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-11-2-1-3-13(10-11)24-12-5-8-21(9-6-12)15(23)14-4-7-20-22(14)16(18)19/h1-4,7,10,12,16H,5-6,8-9H2
InChIKeyGPQYFJPSRNWSKJ-UHFFFAOYSA-N
XLogP3.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 138057193
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 46971532
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 86286555
[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 70771795
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 67168779
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (CID 70729638) is [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is O=C(c1ccnn1C(F)F)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is GPQYFJPSRNWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-11-2-1-3-13(10-11)24-12-5-8-21(9-6-12)15(23)14-4-7-20-22(14)16(18)19/h1-4,7,10,12,16H,5-6,8-9H2.
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70729638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).