2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone

C10H11F3N2O2 — CID 129379137

IUPAC2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone
SMILESO=C(c1cnn(C[C@H]2CCCO2)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(16)7-4-14-15(5-7)6-8-2-1-3-17-8/h4-5,8H,1-3,6H2/t8-/m1/s1
InChIKeyVTASPAJHJCMFMS-MRVPVSSYSA-N
MW248.20 g/mol
LogP1.81
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone (PubChem CID 129379137) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone
PubChem CID129379137
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone
SMILESO=C(c1cnn(C[C@H]2CCCO2)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(16)7-4-14-15(5-7)6-8-2-1-3-17-8/h4-5,8H,1-3,6H2/t8-/m1/s1
InChIKeyVTASPAJHJCMFMS-MRVPVSSYSA-N
XLogP1.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 167784514
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 95899494
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone (CID 129379137) is 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone is O=C(c1cnn(C[C@H]2CCCO2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone?
The InChIKey is VTASPAJHJCMFMS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)9(16)7-4-14-15(5-7)6-8-2-1-3-17-8/h4-5,8H,1-3,6H2/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone has a molecular weight of 248.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 129379137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).