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

C16H24F2N4O — CID 46969146

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCC1CCN(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)CC1
InChIInChI=1S/C16H24F2N4O/c1-12-2-7-20(8-3-12)13-4-9-21(10-5-13)15(23)14-6-11-22(19-14)16(17)18/h6,11-13,16H,2-5,7-10H2,1H3
InChIKeyYAYQGEUZJLBZBC-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.61
Rot. Bonds3

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

[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 46969146) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID46969146
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCC1CCN(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)CC1
InChIInChI=1S/C16H24F2N4O/c1-12-2-7-20(8-3-12)13-4-9-21(10-5-13)15(23)14-6-11-22(19-14)16(17)18/h6,11-13,16H,2-5,7-10H2,1H3
InChIKeyYAYQGEUZJLBZBC-UHFFFAOYSA-N
XLogP2.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 118769096
[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70713232
ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone
CID 78086744
(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 90649833
[1-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 133128219
[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 70716411
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97204545
[1-(difluoromethyl)pyrazol-3-yl]-(4-phenyl-1,4-diazepan-1-yl)methanone
CID 91780523
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 70776141
2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623477

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone (CID 46969146) is [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone is CC1CCN(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)CC1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is YAYQGEUZJLBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-12-2-7-20(8-3-12)13-4-9-21(10-5-13)15(23)14-6-11-22(19-14)16(17)18/h6,11-13,16H,2-5,7-10H2,1H3.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 326.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46969146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).