N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide

C20H26FN3O2 — CID 50960193

IUPACN-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H26FN3O2/c1-12(2)8-17-9-16(23-13(3)25)10-19(26-17)18-11-22-24-20(18)14-4-6-15(21)7-5-14/h4-7,11-12,16-17,19H,8-10H2,1-3H3,(H,22,24)(H,23,25)/t16-,17+,19+/m1/s1
InChIKeyIYNMGAJHDXAMEH-AOIWGVFYSA-N
MW359.45 g/mol
LogP3.99
Rot. Bonds5

About N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide (PubChem CID 50960193) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide
PubChem CID50960193
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H26FN3O2/c1-12(2)8-17-9-16(23-13(3)25)10-19(26-17)18-11-22-24-20(18)14-4-6-15(21)7-5-14/h4-7,11-12,16-17,19H,8-10H2,1-3H3,(H,22,24)(H,23,25)/t16-,17+,19+/m1/s1
InChIKeyIYNMGAJHDXAMEH-AOIWGVFYSA-N
XLogP3.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 46983815
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CID 50949848
N-[(2S*,4R*,6S*)-2-(3-cyclohexyl-1H-pyrazol-4-yl)-6-isobutyltetrahydro-2H-pyran-4-yl]acetamide
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N-[(2S*,4R*,6S*)-2-benzyl-6-(5-tert-butyl-1H-pyrazol-3-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50970864
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CID 50980452
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1-[4-(oxan-4-yloxymethyl)phenyl]methanamine
CID 126808607
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CID 126769574
1-[4-[3-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]propyl]piperazin-1-yl]ethanone
CID 67991918
1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone
CID 67991973
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CID 68682864
3-{(Tert-butoxycarbonyl)(tetrahydro-2H-pyran-4-yl)amino}methyl-5-(3,5-difluorophenyl)-4-methoxymethyl-1H-pyrazole
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N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-methoxycyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide (CID 50960193) is N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cn[nH]c2-c2ccc(F)cc2)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide?
The InChIKey is IYNMGAJHDXAMEH-AOIWGVFYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-12(2)8-17-9-16(23-13(3)25)10-19(26-17)18-11-22-24-20(18)14-4-6-15(21)7-5-14/h4-7,11-12,16-17,19H,8-10H2,1-3H3,(H,22,24)(H,23,25)/t16-,17+,19+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50960193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).