3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide

C12H17F2N3O3 — CID 124843258

IUPAC3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
SMILESO=C(CCOCC(F)F)Nc1cc([C@@H]2CCCO2)[nH]n1
InChIInChI=1S/C12H17F2N3O3/c13-10(14)7-19-5-3-12(18)15-11-6-8(16-17-11)9-2-1-4-20-9/h6,9-10H,1-5,7H2,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyDLLURMAPCMMZKJ-VIFPVBQESA-N
MW289.28 g/mol
LogP1.87
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide

3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide (PubChem CID 124843258) has the molecular formula C12H17F2N3O3 and a molecular weight of 289.28 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
PubChem CID124843258
Molecular FormulaC12H17F2N3O3
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
SMILESO=C(CCOCC(F)F)Nc1cc([C@@H]2CCCO2)[nH]n1
InChIInChI=1S/C12H17F2N3O3/c13-10(14)7-19-5-3-12(18)15-11-6-8(16-17-11)9-2-1-4-20-9/h6,9-10H,1-5,7H2,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyDLLURMAPCMMZKJ-VIFPVBQESA-N
XLogP1.87
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 103209298
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
CID 100752845
2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
CID 170160025
1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
CID 170287229
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide
CID 47067695
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
CID 103213848
3-(oxolan-2-ylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 87018859
N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 71985293
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide (CID 124843258) is 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide is O=C(CCOCC(F)F)Nc1cc([C@@H]2CCCO2)[nH]n1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
The InChIKey is DLLURMAPCMMZKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F2N3O3/c13-10(14)7-19-5-3-12(18)15-11-6-8(16-17-11)9-2-1-4-20-9/h6,9-10H,1-5,7H2,(H2,15,16,17,18)/t9-/m0/s1.
What are the key properties of 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide has a molecular weight of 289.28 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 124843258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).