2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C16H17F4N5O — CID 141318490

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17F4N5O/c17-15(18)11-9-12(16(19)20)25(22-11)10-14(26)24-7-5-23(6-8-24)13-3-1-2-4-21-13/h1-4,9,15-16H,5-8,10H2
InChIKeyNEGQLIDVKAMBJF-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.50
Rot. Bonds5

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 141318490) has the molecular formula C16H17F4N5O and a molecular weight of 371.34 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID141318490
Molecular FormulaC16H17F4N5O
Molecular Weight371.34 g/mol
Exact Mass371.14
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17F4N5O/c17-15(18)11-9-12(16(19)20)25(22-11)10-14(26)24-7-5-23(6-8-24)13-3-1-2-4-21-13/h1-4,9,15-16H,5-8,10H2
InChIKeyNEGQLIDVKAMBJF-UHFFFAOYSA-N
XLogP2.50
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 141318490) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1nc(C(F)F)cc1C(F)F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NEGQLIDVKAMBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N5O/c17-15(18)11-9-12(16(19)20)25(22-11)10-14(26)24-7-5-23(6-8-24)13-3-1-2-4-21-13/h1-4,9,15-16H,5-8,10H2.
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 371.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 141318490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).