N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide

C20H27N3O2 — CID 50974702

IUPACN-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccc(Cn3cccn3)cc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C20H27N3O2/c1-14(2)19-11-18(22-15(3)24)12-20(25-19)17-7-5-16(6-8-17)13-23-10-4-9-21-23/h4-10,14,18-20H,11-13H2,1-3H3,(H,22,24)/t18-,19-,20+/m1/s1
InChIKeyPDXHNPCZBRCZBC-AQNXPRMDSA-N
MW341.46 g/mol
LogP3.31
Rot. Bonds5

About N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide (PubChem CID 50974702) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide
PubChem CID50974702
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccc(Cn3cccn3)cc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C20H27N3O2/c1-14(2)19-11-18(22-15(3)24)12-20(25-19)17-7-5-16(6-8-17)13-23-10-4-9-21-23/h4-10,14,18-20H,11-13H2,1-3H3,(H,22,24)/t18-,19-,20+/m1/s1
InChIKeyPDXHNPCZBRCZBC-AQNXPRMDSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide with MolForge

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 37358108
Propan-2-yl 3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 53525130
N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-2-pyrazol-1-ylacetamide
CID 72015332
N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 84587706
N-[(2S*,4R*,6S*)-2-benzyl-6-(1-tert-butyl-3,5-dimethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50958700
N-[(2S*,4R*,6R*)-2-(1-allyl-1H-pyrazol-4-yl)-6-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50949848
N-[(2S*,4R*,6S*)-2-(1-allyl-3-methyl-1H-pyrazol-4-yl)-6-ethyltetrahydro-2H-pyran-4-yl]benzamide
CID 50951035
N-{(2R*,4R*,6S*)-2-phenyl-6-[3-(1H-pyrazol-1-ylmethyl)phenyl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50954174
N-[(2R*,4R*,6S*)-2-tert-butyl-6-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50975248
N-[(2S*,4R*,6S*)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50980452
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-methylpyrazol-4-yl)oxamide
CID 71883119
1-methyl-N-[2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 71983757

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide (CID 50974702) is N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2ccc(Cn3cccn3)cc2)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide?
The InChIKey is PDXHNPCZBRCZBC-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)19-11-18(22-15(3)24)12-20(25-19)17-7-5-16(6-8-17)13-23-10-4-9-21-23/h4-10,14,18-20H,11-13H2,1-3H3,(H,22,24)/t18-,19-,20+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide is sourced from PubChem (CID 50974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).