1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone

C15H23F2N5O — CID 146437517

IUPAC1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
SMILESCNc1cn(C2CN(C3CCN(C(C)=O)CC3)C2)nc1C(F)F
InChIInChI=1S/C15H23F2N5O/c1-10(23)20-5-3-11(4-6-20)21-7-12(8-21)22-9-13(18-2)14(19-22)15(16)17/h9,11-12,15,18H,3-8H2,1-2H3
InChIKeyUFTLZIRRHXHGJG-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.73
Rot. Bonds4

About 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone

1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 146437517) has the molecular formula C15H23F2N5O and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
PubChem CID146437517
Molecular FormulaC15H23F2N5O
Molecular Weight327.38 g/mol
Exact Mass327.19
IUPAC Name1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
SMILESCNc1cn(C2CN(C3CCN(C(C)=O)CC3)C2)nc1C(F)F
InChIInChI=1S/C15H23F2N5O/c1-10(23)20-5-3-11(4-6-20)21-7-12(8-21)22-9-13(18-2)14(19-22)15(16)17/h9,11-12,15,18H,3-8H2,1-2H3
InChIKeyUFTLZIRRHXHGJG-UHFFFAOYSA-N
XLogP1.73
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone (CID 146437517) is 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone is CNc1cn(C2CN(C3CCN(C(C)=O)CC3)C2)nc1C(F)F.
What is the InChIKey of 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UFTLZIRRHXHGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O/c1-10(23)20-5-3-11(4-6-20)21-7-12(8-21)22-9-13(18-2)14(19-22)15(16)17/h9,11-12,15,18H,3-8H2,1-2H3.
What are the key properties of 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 327.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146437517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).