N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C18H25N3O2 — CID 96560022

IUPACN-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOC[C@](C)(NC(=O)c1cc(C(C)C)nn1C)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-13(2)15-11-16(21(4)20-15)17(22)19-18(3,12-23-5)14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3,(H,19,22)/t18-/m0/s1
InChIKeyLZWCZJMEQGWNLX-SFHVURJKSA-N
MW315.42 g/mol
LogP2.84
Rot. Bonds6

About N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 96560022) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID96560022
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOC[C@](C)(NC(=O)c1cc(C(C)C)nn1C)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-13(2)15-11-16(21(4)20-15)17(22)19-18(3,12-23-5)14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3,(H,19,22)/t18-/m0/s1
InChIKeyLZWCZJMEQGWNLX-SFHVURJKSA-N
XLogP2.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 96560012
N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 105060410
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97066107
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyrazole-3-carboxamide
CID 105059721
2-(3-hydroxyphenyl)-N-(1-methoxy-2-phenylpropan-2-yl)acetamide
CID 75518765
1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82284276
[(2R)-1-methoxy-1-oxobutan-2-yl] 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 97249049
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 96560017
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70731485

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 96560022) is N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is COC[C@](C)(NC(=O)c1cc(C(C)C)nn1C)c1ccccc1.
What is the InChIKey of N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is LZWCZJMEQGWNLX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)15-11-16(21(4)20-15)17(22)19-18(3,12-23-5)14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3,(H,19,22)/t18-/m0/s1.
What are the key properties of N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 96560022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).