(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide

C18H21ClN4O2 — CID 51583786

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1)n1cc(Cl)cn1
InChIInChI=1S/C18H21ClN4O2/c1-13(23-11-15(19)10-20-23)18(25)21-16-9-17(24)22(12-16)8-7-14-5-3-2-4-6-14/h2-6,10-11,13,16H,7-9,12H2,1H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyAIEUYLJVCSZVQG-XJKSGUPXSA-N
MW360.85 g/mol
LogP2.06
Rot. Bonds6

About (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide

(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide (PubChem CID 51583786) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
PubChem CID51583786
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1)n1cc(Cl)cn1
InChIInChI=1S/C18H21ClN4O2/c1-13(23-11-15(19)10-20-23)18(25)21-16-9-17(24)22(12-16)8-7-14-5-3-2-4-6-14/h2-6,10-11,13,16H,7-9,12H2,1H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyAIEUYLJVCSZVQG-XJKSGUPXSA-N
XLogP2.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 42395409
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96518684
1-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96518681
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide (CID 51583786) is (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide is C[C@@H](C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1)n1cc(Cl)cn1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is AIEUYLJVCSZVQG-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-13(23-11-15(19)10-20-23)18(25)21-16-9-17(24)22(12-16)8-7-14-5-3-2-4-6-14/h2-6,10-11,13,16H,7-9,12H2,1H3,(H,21,25)/t13-,16+/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide?
(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 360.85 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 51583786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).