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

C14H21F2N5O — CID 146437548

IUPAC1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC(n3cc(N)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C14H21F2N5O/c1-9(22)19-4-2-10(3-5-19)20-6-11(7-20)21-8-12(17)13(18-21)14(15)16/h8,10-11,14H,2-7,17H2,1H3
InChIKeyWADAASQLPSNDCT-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.27
Rot. Bonds3

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

1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 146437548) has the molecular formula C14H21F2N5O and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
PubChem CID146437548
Molecular FormulaC14H21F2N5O
Molecular Weight313.35 g/mol
Exact Mass313.17
IUPAC Name1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC(n3cc(N)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C14H21F2N5O/c1-9(22)19-4-2-10(3-5-19)20-6-11(7-20)21-8-12(17)13(18-21)14(15)16/h8,10-11,14H,2-7,17H2,1H3
InChIKeyWADAASQLPSNDCT-UHFFFAOYSA-N
XLogP1.27
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone (CID 146437548) is 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CC(n3cc(N)c(C(F)F)n3)C2)CC1.
What is the InChIKey of 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is WADAASQLPSNDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O/c1-9(22)19-4-2-10(3-5-19)20-6-11(7-20)21-8-12(17)13(18-21)14(15)16/h8,10-11,14H,2-7,17H2,1H3.
What are the key properties of 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 313.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146437548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).