[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone

C19H22FN3O2 — CID 128966191

IUPAC[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C19H22FN3O2/c20-14-4-6-15(7-5-14)23-17(8-10-21-23)18-16(9-13-25-18)19(24)22-11-2-1-3-12-22/h4-8,10,16,18H,1-3,9,11-13H2/t16-,18-/m0/s1
InChIKeyBCVMPKTULQNHQY-WMZOPIPTSA-N
MW343.40 g/mol
LogP3.10
Rot. Bonds3

About [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone

[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone (PubChem CID 128966191) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone
PubChem CID128966191
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C19H22FN3O2/c20-14-4-6-15(7-5-14)23-17(8-10-21-23)18-16(9-13-25-18)19(24)22-11-2-1-3-12-22/h4-8,10,16,18H,1-3,9,11-13H2/t16-,18-/m0/s1
InChIKeyBCVMPKTULQNHQY-WMZOPIPTSA-N
XLogP3.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
CID 45488337
rac-(2R,3R)-2-(1-benzyl-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 124709996
rac-(2R,3R)-2-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 125528789
(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
CID 128966151
(2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985968
(2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129342078
(2S,3S)-2-[1-(2-methylphenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662778
(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 164631078
[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
CID 164636205
1-[5-(Methoxymethyl)-1-pyridazin-4-ylpyrazol-4-yl]-3-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one
CID 172246195
3,4-dihydro-1H-isoquinolin-2-yl-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanone
CID 128966295

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone (CID 128966191) is [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone is O=C([C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone?
The InChIKey is BCVMPKTULQNHQY-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-14-4-6-15(7-5-14)23-17(8-10-21-23)18-16(9-13-25-18)19(24)22-11-2-1-3-12-22/h4-8,10,16,18H,1-3,9,11-13H2/t16-,18-/m0/s1.
What are the key properties of [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone?
[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone has a molecular weight of 343.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 128966191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).