[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone

C12H17F2N3O2 — CID 78086744

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccn(C(F)F)n2)CCC1(C)O
InChIInChI=1S/C12H17F2N3O2/c1-8-7-16(6-4-12(8,2)19)10(18)9-3-5-17(15-9)11(13)14/h3,5,8,11,19H,4,6-7H2,1-2H3
InChIKeyJWPNIMGVCPOHTR-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.51
Rot. Bonds2

About [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone

[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 78086744) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone
PubChem CID78086744
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccn(C(F)F)n2)CCC1(C)O
InChIInChI=1S/C12H17F2N3O2/c1-8-7-16(6-4-12(8,2)19)10(18)9-3-5-17(15-9)11(13)14/h3,5,8,11,19H,4,6-7H2,1-2H3
InChIKeyJWPNIMGVCPOHTR-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 133128219
(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 90649833
[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 46969146
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97204545
ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70713232
(5S)-2-[1-(difluoromethyl)pyrazole-3-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024193
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 51590865
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]methanone
CID 72888682
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S,4R)-4-hydroxy-3,4-dimethylpiperidin-1-yl]methanone
CID 133112216
[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 70771171
(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 118769096

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone (CID 78086744) is [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone is CC1CN(C(=O)c2ccn(C(F)F)n2)CCC1(C)O.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is JWPNIMGVCPOHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-8-7-16(6-4-12(8,2)19)10(18)9-3-5-17(15-9)11(13)14/h3,5,8,11,19H,4,6-7H2,1-2H3.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone?
[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 273.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 78086744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).