(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C21H22N4O3 — CID 110224881

IUPAC(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCC1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C21H22N4O3/c1-27-17-6-3-7-18(28-2)19(17)21(26)25-12-4-5-16(25)20-15(13-23-24-20)14-8-10-22-11-9-14/h3,6-11,13,16H,4-5,12H2,1-2H3,(H,23,24)
InChIKeyAUQSFPBFDRGIII-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.47
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 110224881) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID110224881
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCC1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C21H22N4O3/c1-27-17-6-3-7-18(28-2)19(17)21(26)25-12-4-5-16(25)20-15(13-23-24-20)14-8-10-22-11-9-14/h3,6-11,13,16H,4-5,12H2,1-2H3,(H,23,24)
InChIKeyAUQSFPBFDRGIII-UHFFFAOYSA-N
XLogP3.47
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92600642
(2,5-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218061
1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 110224827
2-(2,5-dimethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92594548
(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92568441
[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92611267
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
2-(2-methoxy-4-methylphenoxy)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 46958095
(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92604652
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224835
(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92588153
4-(2-fluorophenoxy)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92573114

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 110224881) is (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCCC1c1[nH]ncc1-c1ccncc1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AUQSFPBFDRGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-6-3-7-18(28-2)19(17)21(26)25-12-4-5-16(25)20-15(13-23-24-20)14-8-10-22-11-9-14/h3,6-11,13,16H,4-5,12H2,1-2H3,(H,23,24).
What are the key properties of (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110224881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).