N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide

C16H18N4O3 — CID 125420175

IUPACN-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)n1
InChIInChI=1S/C16H18N4O3/c1-10(2)20-8-7-13(19-20)16(22)17-11-3-5-12(6-4-11)23-15-9-14(21)18-15/h3-8,10,15H,9H2,1-2H3,(H,17,22)(H,18,21)/t15-/m1/s1
InChIKeyXCEUTLWUBDGZAI-OAHLLOKOSA-N
MW314.35 g/mol
LogP1.94
Rot. Bonds5

About N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 125420175) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID125420175
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)n1
InChIInChI=1S/C16H18N4O3/c1-10(2)20-8-7-13(19-20)16(22)17-11-3-5-12(6-4-11)23-15-9-14(21)18-15/h3-8,10,15H,9H2,1-2H3,(H,17,22)(H,18,21)/t15-/m1/s1
InChIKeyXCEUTLWUBDGZAI-OAHLLOKOSA-N
XLogP1.94
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119224298
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N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 86944397
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CID 122152600
N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125144193
propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
CID 122151920
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
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CID 119062587
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
2-[3-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 125420175) is N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)n1.
What is the InChIKey of N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is XCEUTLWUBDGZAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(2)20-8-7-13(19-20)16(22)17-11-3-5-12(6-4-11)23-15-9-14(21)18-15/h3-8,10,15H,9H2,1-2H3,(H,17,22)(H,18,21)/t15-/m1/s1.
What are the key properties of N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 125420175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).