(2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide

C18H22FN3O2 — CID 128966849

IUPAC(2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-3-21(4-2)18(23)15-10-12-24-17(15)16-9-11-20-22(16)14-7-5-13(19)6-8-14/h5-9,11,15,17H,3-4,10,12H2,1-2H3/t15-,17-/m0/s1
InChIKeyTXRFLQMFRZVAAU-RDJZCZTQSA-N
MW331.39 g/mol
LogP2.96
Rot. Bonds5

About (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide

(2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 128966849) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID128966849
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-3-21(4-2)18(23)15-10-12-24-17(15)16-9-11-20-22(16)14-7-5-13(19)6-8-14/h5-9,11,15,17H,3-4,10,12H2,1-2H3/t15-,17-/m0/s1
InChIKeyTXRFLQMFRZVAAU-RDJZCZTQSA-N
XLogP2.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(2-Fluoro-6-pyrazol-1-ylphenyl)ethyl 3-(2-oxopyrrolidin-1-yl)propanoate
CID 71847319
(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
N-{[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl}-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 120425581
(2S,3S)-2-[1-(4-fluorophenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662779
[(1S)-1-(2-fluoro-6-pyrazol-1-ylphenyl)ethyl] 3-(2-oxopyrrolidin-1-yl)propanoate
CID 97020560
[(1R)-1-(2-fluoro-6-pyrazol-1-ylphenyl)ethyl] 3-(2-oxopyrrolidin-1-yl)propanoate
CID 97020561
1-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110154784

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide (CID 128966849) is (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide is CCN(CC)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is TXRFLQMFRZVAAU-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-21(4-2)18(23)15-10-12-24-17(15)16-9-11-20-22(16)14-7-5-13(19)6-8-14/h5-9,11,15,17H,3-4,10,12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide?
(2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128966849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).