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

C20H24N4O2 — CID 95122769

IUPAC1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(=O)N1CCn2nc(C(=O)N3CCC[C@H]3c3ccccc3C)cc2C1
InChIInChI=1S/C20H24N4O2/c1-14-6-3-4-7-17(14)19-8-5-9-23(19)20(26)18-12-16-13-22(15(2)25)10-11-24(16)21-18/h3-4,6-7,12,19H,5,8-11,13H2,1-2H3/t19-/m0/s1
InChIKeyWZBCEASRQITMQS-IBGZPJMESA-N
MW352.44 g/mol
LogP2.53
Rot. Bonds2

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

1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 95122769) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID95122769
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(=O)N1CCn2nc(C(=O)N3CCC[C@H]3c3ccccc3C)cc2C1
InChIInChI=1S/C20H24N4O2/c1-14-6-3-4-7-17(14)19-8-5-9-23(19)20(26)18-12-16-13-22(15(2)25)10-11-24(16)21-18/h3-4,6-7,12,19H,5,8-11,13H2,1-2H3/t19-/m0/s1
InChIKeyWZBCEASRQITMQS-IBGZPJMESA-N
XLogP2.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(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
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
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
(2,4-dihydroxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 25058141
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
1-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95208357
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 47067221
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50983477

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 95122769) is 1-[2-[(2S)-2-(2-methylphenyl)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-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CC(=O)N1CCn2nc(C(=O)N3CCC[C@H]3c3ccccc3C)cc2C1.
What is the InChIKey of 1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is WZBCEASRQITMQS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-6-3-4-7-17(14)19-8-5-9-23(19)20(26)18-12-16-13-22(15(2)25)10-11-24(16)21-18/h3-4,6-7,12,19H,5,8-11,13H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 95122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).