(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone

C17H25N5O — CID 95204610

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C17H25N5O/c1-3-22-16(12-14(2)19-22)17(23)21-9-5-4-6-15(21)7-10-20-11-8-18-13-20/h8,11-13,15H,3-7,9-10H2,1-2H3/t15-/m0/s1
InChIKeyJECUVGRSGNVXOM-HNNXBMFYSA-N
MW315.42 g/mol
LogP2.49
Rot. Bonds5

About (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 95204610) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID95204610
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C17H25N5O/c1-3-22-16(12-14(2)19-22)17(23)21-9-5-4-6-15(21)7-10-20-11-8-18-13-20/h8,11-13,15H,3-7,9-10H2,1-2H3/t15-/m0/s1
InChIKeyJECUVGRSGNVXOM-HNNXBMFYSA-N
XLogP2.49
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66122618
3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 66126978
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 95136458
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 95147297
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292643
(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone (CID 95204610) is (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone is CCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCn1ccnc1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is JECUVGRSGNVXOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-22-16(12-14(2)19-22)17(23)21-9-5-4-6-15(21)7-10-20-11-8-18-13-20/h8,11-13,15H,3-7,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95204610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).