N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C22H32N4O — CID 52525533

IUPACN-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1c(C)nn(C)c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-6-26(22(27)14-21-16(2)23-24(5)18(21)4)20-12-13-25(15-20)17(3)19-10-8-7-9-11-19/h7-11,17,20H,6,12-15H2,1-5H3/t17-,20-/m0/s1
InChIKeyYKHVQKWUTLBUFR-PXNSSMCTSA-N
MW368.53 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 52525533) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID52525533
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1c(C)nn(C)c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C22H32N4O/c1-6-26(22(27)14-21-16(2)23-24(5)18(21)4)20-12-13-25(15-20)17(3)19-10-8-7-9-11-19/h7-11,17,20H,6,12-15H2,1-5H3/t17-,20-/m0/s1
InChIKeyYKHVQKWUTLBUFR-PXNSSMCTSA-N
XLogP3.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide
CID 98755640
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
N-ethyl-3-methyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 94811047
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
CID 86874699
N-ethyl-3-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 75507595
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 98768605
4-bromo-N-ethyl-3,5-dimethoxy-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 98691639
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
CID 98728365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 52525533) is N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCN(C(=O)Cc1c(C)nn(C)c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is YKHVQKWUTLBUFR-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H32N4O/c1-6-26(22(27)14-21-16(2)23-24(5)18(21)4)20-12-13-25(15-20)17(3)19-10-8-7-9-11-19/h7-11,17,20H,6,12-15H2,1-5H3/t17-,20-/m0/s1.
What are the key properties of N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 368.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 52525533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).