[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

C20H25F2N3O2 — CID 139010155

IUPAC[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H25F2N3O2/c1-4-25-17(12-16(23-25)13(2)3)19(26)24-10-8-20(27,9-11-24)18-14(21)6-5-7-15(18)22/h5-7,12-13,27H,4,8-11H2,1-3H3
InChIKeyZQPOENUVLPOSBU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.43
Rot. Bonds4

About [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 139010155) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID139010155
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H25F2N3O2/c1-4-25-17(12-16(23-25)13(2)3)19(26)24-10-8-20(27,9-11-24)18-14(21)6-5-7-15(18)22/h5-7,12-13,27H,4,8-11H2,1-3H3
InChIKeyZQPOENUVLPOSBU-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 70734009
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875316
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97285272
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 119059917
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
[4-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 155991310
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 78087560
1-[4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 70747110
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722049
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146039006

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 139010155) is [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is ZQPOENUVLPOSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-4-25-17(12-16(23-25)13(2)3)19(26)24-10-8-20(27,9-11-24)18-14(21)6-5-7-15(18)22/h5-7,12-13,27H,4,8-11H2,1-3H3.
What are the key properties of [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 377.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 139010155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).