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

C19H26N4O — CID 129427084

IUPAC(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H26N4O/c1-15(2)21-19(24)18(16-8-4-3-5-9-16)23-13-6-10-17(23)14-22-12-7-11-20-22/h3-5,7-9,11-12,15,17-18H,6,10,13-14H2,1-2H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyVTKRUFMNJNGEDM-ROUUACIJSA-N
MW326.44 g/mol
LogP2.61
Rot. Bonds6

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

(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 129427084) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID129427084
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H26N4O/c1-15(2)21-19(24)18(16-8-4-3-5-9-16)23-13-6-10-17(23)14-22-12-7-11-20-22/h3-5,7-9,11-12,15,17-18H,6,10,13-14H2,1-2H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyVTKRUFMNJNGEDM-ROUUACIJSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426199
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426148
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609157
(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 98761671
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
(2R)-2-methoxy-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603784
(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426089
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95354497
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 129427084) is (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is CC(C)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is VTKRUFMNJNGEDM-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)21-19(24)18(16-8-4-3-5-9-16)23-13-6-10-17(23)14-22-12-7-11-20-22/h3-5,7-9,11-12,15,17-18H,6,10,13-14H2,1-2H3,(H,21,24)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129427084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).