N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C16H17F3N4O3 — CID 52519670

IUPACN-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccnn1C[C@@H]1CCOC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)12-2-1-6-22(15(12)25)9-14(24)21-13-3-5-20-23(13)8-11-4-7-26-10-11/h1-3,5-6,11H,4,7-10H2,(H,21,24)/t11-/m0/s1
InChIKeyTWPZTNQZGOZLFE-NSHDSACASA-N
MW370.33 g/mol
LogP1.74
Rot. Bonds5

About N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 52519670) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID52519670
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC NameN-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccnn1C[C@@H]1CCOC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)12-2-1-6-22(15(12)25)9-14(24)21-13-3-5-20-23(13)8-11-4-7-26-10-11/h1-3,5-6,11H,4,7-10H2,(H,21,24)/t11-/m0/s1
InChIKeyTWPZTNQZGOZLFE-NSHDSACASA-N
XLogP1.74
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 52519670) is N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccnn1C[C@@H]1CCOC1.
What is the InChIKey of N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is TWPZTNQZGOZLFE-NSHDSACASA-N. The full InChI is InChI=1S/C16H17F3N4O3/c17-16(18,19)12-2-1-6-22(15(12)25)9-14(24)21-13-3-5-20-23(13)8-11-4-7-26-10-11/h1-3,5-6,11H,4,7-10H2,(H,21,24)/t11-/m0/s1.
What are the key properties of N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 370.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 52519670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).