(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C18H20N6O — CID 92604652

IUPAC(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cncc1C(=O)N1CCC[C@H]1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C18H20N6O/c1-2-23-12-20-11-16(23)18(25)24-9-3-4-15(24)17-14(10-21-22-17)13-5-7-19-8-6-13/h5-8,10-12,15H,2-4,9H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyWSKLPIZWEFDPQI-HNNXBMFYSA-N
MW336.40 g/mol
LogP2.67
Rot. Bonds4

About (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 92604652) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID92604652
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cncc1C(=O)N1CCC[C@H]1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C18H20N6O/c1-2-23-12-20-11-16(23)18(25)24-9-3-4-15(24)17-14(10-21-22-17)13-5-7-19-8-6-13/h5-8,10-12,15H,2-4,9H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyWSKLPIZWEFDPQI-HNNXBMFYSA-N
XLogP2.67
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92588153
(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224881
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92611267
2-(4-methylphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557663
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224835
(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92568441
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110224842
(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92600642
2-(4-ethoxyphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593685
(2,5-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218061

Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 92604652) is (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is CCn1cncc1C(=O)N1CCC[C@H]1c1[nH]ncc1-c1ccncc1.
What is the InChIKey of (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WSKLPIZWEFDPQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-23-12-20-11-16(23)18(25)24-9-3-4-15(24)17-14(10-21-22-17)13-5-7-19-8-6-13/h5-8,10-12,15H,2-4,9H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92604652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).