1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C17H21N5O3 — CID 95147098

IUPAC1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(=O)N1CCn2nc(C(=O)N3CCC[C@H]3c3cc(C)no3)cc2C1
InChIInChI=1S/C17H21N5O3/c1-11-8-16(25-19-11)15-4-3-5-21(15)17(24)14-9-13-10-20(12(2)23)6-7-22(13)18-14/h8-9,15H,3-7,10H2,1-2H3/t15-/m0/s1
InChIKeySDHKQAQIGDZIBD-HNNXBMFYSA-N
MW343.39 g/mol
LogP1.52
Rot. Bonds2

About 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 95147098) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID95147098
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(=O)N1CCn2nc(C(=O)N3CCC[C@H]3c3cc(C)no3)cc2C1
InChIInChI=1S/C17H21N5O3/c1-11-8-16(25-19-11)15-4-3-5-21(15)17(24)14-9-13-10-20(12(2)23)6-7-22(13)18-14/h8-9,15H,3-7,10H2,1-2H3/t15-/m0/s1
InChIKeySDHKQAQIGDZIBD-HNNXBMFYSA-N
XLogP1.52
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 95147099
1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 95122769
1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95146955
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889
(6-chloropyridazin-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 61051342
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
2,3-dimethyl-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76992612
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92893460
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 95147098) is 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CC(=O)N1CCn2nc(C(=O)N3CCC[C@H]3c3cc(C)no3)cc2C1.
What is the InChIKey of 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is SDHKQAQIGDZIBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-8-16(25-19-11)15-4-3-5-21(15)17(24)14-9-13-10-20(12(2)23)6-7-22(13)18-14/h8-9,15H,3-7,10H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 95147098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).