N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide

C17H25F2N3O3 — CID 120916532

IUPACN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C17H25F2N3O3/c1-2-22-13(5-9-21-22)14-12(6-10-25-14)11-20-15(23)17(18,19)16(24)7-3-4-8-16/h5,9,12,14,24H,2-4,6-8,10-11H2,1H3,(H,20,23)/t12-,14+/m0/s1
InChIKeyVHMMHOKOTPGTIF-GXTWGEPZSA-N
MW357.40 g/mol
LogP2.04
Rot. Bonds6

About N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide

N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 120916532) has the molecular formula C17H25F2N3O3 and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide
PubChem CID120916532
Molecular FormulaC17H25F2N3O3
Molecular Weight357.40 g/mol
Exact Mass357.19
IUPAC NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C17H25F2N3O3/c1-2-22-13(5-9-21-22)14-12(6-10-25-14)11-20-15(23)17(18,19)16(24)7-3-4-8-16/h5,9,12,14,24H,2-4,6-8,10-11H2,1H3,(H,20,23)/t12-,14+/m0/s1
InChIKeyVHMMHOKOTPGTIF-GXTWGEPZSA-N
XLogP2.04
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-(2-sulfanylethyl)oxolane-3-carboxamide
CID 177680332
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 121558812
3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
CID 126797179
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 132289587
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]butanamide
CID 132303366
(2R,3R)-N-(2-ethyl-2-methoxybutyl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 137977335
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 164634336
[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
CID 164636205
1-(2,2-difluoroethyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 128354527
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 128976292
[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 128986007
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxan-3-yl]methanone
CID 128986270

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide (CID 120916532) is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide is CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C(F)(F)C1(O)CCCC1.
What is the InChIKey of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is VHMMHOKOTPGTIF-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H25F2N3O3/c1-2-22-13(5-9-21-22)14-12(6-10-25-14)11-20-15(23)17(18,19)16(24)7-3-4-8-16/h5,9,12,14,24H,2-4,6-8,10-11H2,1H3,(H,20,23)/t12-,14+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide?
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 357.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 120916532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).