(4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one

C22H26N4O2 — CID 129357381

IUPAC(4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](C(=O)N3CCn4nc(C5CC5)cc4C3)CC2=O)cc1C
InChIInChI=1S/C22H26N4O2/c1-14-3-6-18(9-15(14)2)25-12-17(10-21(25)27)22(28)24-7-8-26-19(13-24)11-20(23-26)16-4-5-16/h3,6,9,11,16-17H,4-5,7-8,10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyQHXBJHZVJXWOJI-KRWDZBQOSA-N
MW378.48 g/mol
LogP2.77
Rot. Bonds3

About (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one

(4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 129357381) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID129357381
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](C(=O)N3CCn4nc(C5CC5)cc4C3)CC2=O)cc1C
InChIInChI=1S/C22H26N4O2/c1-14-3-6-18(9-15(14)2)25-12-17(10-21(25)27)22(28)24-7-8-26-19(13-24)11-20(23-26)16-4-5-16/h3,6,9,11,16-17H,4-5,7-8,10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyQHXBJHZVJXWOJI-KRWDZBQOSA-N
XLogP2.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121092639
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
1-(3,4-dimethylphenyl)-4-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 121150835
(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 97354962
5-[1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541259
4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 90641553
3-[1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 99878226

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 129357381) is (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@@H](C(=O)N3CCn4nc(C5CC5)cc4C3)CC2=O)cc1C.
What is the InChIKey of (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is QHXBJHZVJXWOJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-3-6-18(9-15(14)2)25-12-17(10-21(25)27)22(28)24-7-8-26-19(13-24)11-20(23-26)16-4-5-16/h3,6,9,11,16-17H,4-5,7-8,10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
(4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 129357381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).