2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

C21H22N4O — CID 92557662

IUPAC2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C21H22N4O/c1-15-4-6-16(7-5-15)13-20(26)25-12-2-3-19(25)21-18(14-23-24-21)17-8-10-22-11-9-17/h4-11,14,19H,2-3,12-13H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeyGAVNMHYWGRKWMD-LJQANCHMSA-N
MW346.43 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 92557662) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID92557662
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C21H22N4O/c1-15-4-6-16(7-5-15)13-20(26)25-12-2-3-19(25)21-18(14-23-24-21)17-8-10-22-11-9-17/h4-11,14,19H,2-3,12-13H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeyGAVNMHYWGRKWMD-LJQANCHMSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557663
2-(4-ethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593684
2-(4-ethoxyphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593685
1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 110224827
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136860857
2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92568328
2-(2,5-dimethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92594548
2-(2-methoxy-4-methylphenoxy)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 46958095
1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136766095
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110224842

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (CID 92557662) is 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is GAVNMHYWGRKWMD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-4-6-16(7-5-15)13-20(26)25-12-2-3-19(25)21-18(14-23-24-21)17-8-10-22-11-9-17/h4-11,14,19H,2-3,12-13H2,1H3,(H,23,24)/t19-/m1/s1.
What are the key properties of 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92557662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).