(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

C17H19F2N3O2 — CID 122146628

IUPAC(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C17H19F2N3O2/c1-10(2)22-14(6-8-20-22)16-11(7-9-24-16)17(23)21-13-5-3-4-12(18)15(13)19/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,21,23)/t11-,16-/m0/s1
InChIKeyPZHCHJVZQQUVIW-ZBEGNZNMSA-N
MW335.35 g/mol
LogP3.46
Rot. Bonds4

About (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 122146628) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID122146628
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C17H19F2N3O2/c1-10(2)22-14(6-8-20-22)16-11(7-9-24-16)17(23)21-13-5-3-4-12(18)15(13)19/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,21,23)/t11-,16-/m0/s1
InChIKeyPZHCHJVZQQUVIW-ZBEGNZNMSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
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
(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
(2R,3R)-N-(2-ethyl-2-methoxybutyl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 137977335
N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 164631078
N-{[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl}-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 120425581
(1-methylpyrazol-3-yl)methyl (2S)-2-[[2-[(2S)-1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-3-methylbutanoate
CID 176337704
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-acetamido-4-fluorobenzoate
CID 60232873
N-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 71906964
(2S,3S)-2-[1-(4-fluorophenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662779
(2R)-N-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 97083180
(2S)-N-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 97083181

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (CID 122146628) is (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(F)c1F.
What is the InChIKey of (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is PZHCHJVZQQUVIW-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10(2)22-14(6-8-20-22)16-11(7-9-24-16)17(23)21-13-5-3-4-12(18)15(13)19/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,21,23)/t11-,16-/m0/s1.
What are the key properties of (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 122146628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).