1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one

C19H22ClN5O2 — CID 166279032

IUPAC1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESCc1nc2n(n1)CCN(C(=O)C1CC(=O)N([C@@H](C)c3ccc(Cl)cc3)C1)C2
InChIInChI=1S/C19H22ClN5O2/c1-12(14-3-5-16(20)6-4-14)24-10-15(9-18(24)26)19(27)23-7-8-25-17(11-23)21-13(2)22-25/h3-6,12,15H,7-11H2,1-2H3/t12-,15?/m0/s1
InChIKeyUCBICGOOEGFZDU-SFVWDYPZSA-N
MW387.87 g/mol
LogP2.19
Rot. Bonds3

About 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one

1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one (PubChem CID 166279032) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one
PubChem CID166279032
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESCc1nc2n(n1)CCN(C(=O)C1CC(=O)N([C@@H](C)c3ccc(Cl)cc3)C1)C2
InChIInChI=1S/C19H22ClN5O2/c1-12(14-3-5-16(20)6-4-14)24-10-15(9-18(24)26)19(27)23-7-8-25-17(11-23)21-13(2)22-25/h3-6,12,15H,7-11H2,1-2H3/t12-,15?/m0/s1
InChIKeyUCBICGOOEGFZDU-SFVWDYPZSA-N
XLogP2.19
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
1-[1-(4-chlorophenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168707640
4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108535541
(4R)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 9113482
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383
1-[1-(4-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669235
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690179
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
1-(1-phenylethyl)-4-[4-(2-pyridin-2-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86953693
2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813
4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 108755676

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one (CID 166279032) is 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one is Cc1nc2n(n1)CCN(C(=O)C1CC(=O)N([C@@H](C)c3ccc(Cl)cc3)C1)C2.
What is the InChIKey of 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The InChIKey is UCBICGOOEGFZDU-SFVWDYPZSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-12(14-3-5-16(20)6-4-14)24-10-15(9-18(24)26)19(27)23-7-8-25-17(11-23)21-13(2)22-25/h3-6,12,15H,7-11H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one has a molecular weight of 387.87 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 166279032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).