[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone

C20H24FN3O4 — CID 164629551

IUPAC[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCC(OC[C@H]2CCCO2)CC1
InChIInChI=1S/C20H24FN3O4/c21-16-5-1-2-6-17(16)24-12-18(25)19(22-24)20(26)23-9-7-14(8-10-23)28-13-15-4-3-11-27-15/h1-2,5-6,12,14-15,25H,3-4,7-11,13H2/t15-/m1/s1
InChIKeyJDOUOLHDPCIDCQ-OAHLLOKOSA-N
MW389.43 g/mol
LogP2.52
Rot. Bonds5

About [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone

[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone (PubChem CID 164629551) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
PubChem CID164629551
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCC(OC[C@H]2CCCO2)CC1
InChIInChI=1S/C20H24FN3O4/c21-16-5-1-2-6-17(16)24-12-18(25)19(22-24)20(26)23-9-7-14(8-10-23)28-13-15-4-3-11-27-15/h1-2,5-6,12,14-15,25H,3-4,7-11,13H2/t15-/m1/s1
InChIKeyJDOUOLHDPCIDCQ-OAHLLOKOSA-N
XLogP2.52
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone (CID 164629551) is [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone is O=C(c1nn(-c2ccccc2F)cc1O)N1CCC(OC[C@H]2CCCO2)CC1.
What is the InChIKey of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone?
The InChIKey is JDOUOLHDPCIDCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-16-5-1-2-6-17(16)24-12-18(25)19(22-24)20(26)23-9-7-14(8-10-23)28-13-15-4-3-11-27-15/h1-2,5-6,12,14-15,25H,3-4,7-11,13H2/t15-/m1/s1.
What are the key properties of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone?
[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone has a molecular weight of 389.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 164629551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).