(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C21H22N4O3 — CID 92600642

IUPAC(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)c1OC
InChIInChI=1S/C21H22N4O3/c1-27-18-7-3-5-15(20(18)28-2)21(26)25-12-4-6-17(25)19-16(13-23-24-19)14-8-10-22-11-9-14/h3,5,7-11,13,17H,4,6,12H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyHXRIRLNILSEKHP-QGZVFWFLSA-N
MW378.43 g/mol
LogP3.47
Rot. Bonds5

About (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 92600642) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID92600642
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)c1OC
InChIInChI=1S/C21H22N4O3/c1-27-18-7-3-5-15(20(18)28-2)21(26)25-12-4-6-17(25)19-16(13-23-24-19)14-8-10-22-11-9-14/h3,5,7-11,13,17H,4,6,12H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyHXRIRLNILSEKHP-QGZVFWFLSA-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

(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224881
(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-methoxy-3-methylphenyl)-[(2S)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92561339
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
4-(2-fluorophenoxy)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92573114
(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

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 92600642) is (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is COc1cccc(C(=O)N2CCC[C@@H]2c2[nH]ncc2-c2ccncc2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HXRIRLNILSEKHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-7-3-5-15(20(18)28-2)21(26)25-12-4-6-17(25)19-16(13-23-24-19)14-8-10-22-11-9-14/h3,5,7-11,13,17H,4,6,12H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[(2R)-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 (2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92600642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).