(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C16H20N4O — CID 129426199

IUPAC(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C16H20N4O/c17-16(21)15(13-6-2-1-3-7-13)20-11-4-8-14(20)12-19-10-5-9-18-19/h1-3,5-7,9-10,14-15H,4,8,11-12H2,(H2,17,21)/t14-,15+/m0/s1
InChIKeyZKVXTKYHODRKHU-LSDHHAIUSA-N
MW284.36 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 129426199) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID129426199
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C16H20N4O/c17-16(21)15(13-6-2-1-3-7-13)20-11-4-8-14(20)12-19-10-5-9-18-19/h1-3,5-7,9-10,14-15H,4,8,11-12H2,(H2,17,21)/t14-,15+/m0/s1
InChIKeyZKVXTKYHODRKHU-LSDHHAIUSA-N
XLogP1.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 98761671
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084
(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426089
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426148
(2R)-2-methoxy-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603784
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609157
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56802669
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 129426199) is (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZKVXTKYHODRKHU-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(21)15(13-6-2-1-3-7-13)20-11-4-8-14(20)12-19-10-5-9-18-19/h1-3,5-7,9-10,14-15H,4,8,11-12H2,(H2,17,21)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129426199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).